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  • Springer  (89)
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  • 1
    Electronic Resource
    Electronic Resource
    Synthesis and structure of tetrakis(2,6-dichlorophenoxide) bis(THF) uranium(IV) (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 7-10 
    Details
    ISSN: 1572-8854
    Keywords: crystal structure ; uranium (IV) ; dichlorophenoxide
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The reaction of UCl4 with KO-2,6-Cl2C6H3 in tetrahydrofuran results in the preparation of the title compound. The six-coordinate complex possesses pseudo-octahedral geometry about uranium, with U-O(phenoxide) bond lengths in the range 2.161(11) to 2.178(10) Å and U-O(THF) bond lengths of 2.467(10) and 2.475(11) Å. This complex crystallizes in the monoclinic space group P21/n (a = 11.169(2), b = 11.588(2), c = 35.119(5) Å, β = 92.11(1)°, V = 4542.2(13) Å3, and Z = 4).
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1009594612946
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  • 2
    Electronic Resource
    Electronic Resource
    Synthesis and crystal structure of hexakis(N-methylimidazole) iron(II) pyridine-2-sulfonate (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 23-26 
    Details
    ISSN: 1572-8854
    Keywords: iron ; crystal structure ; synthesis ; N-methylimidazole
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The compound [Fe(C4H6N2)6][C5H4NSO3]2 crystallized in the monoclinic space group, P21/n with unit cell parameters: a = 13.676(3), b = 8.345(2), c = 18.663(4) Å, β = 106.40(3)° and Z = 2. The title compound consists of a [Fe(C4H6N2)6]+2 hexacoordinated iron(II) cation and two C5H4NSO− 3 anions. In the cation the iron atom is coordinated to six N-methylimidazole imine nitrogen atoms in a distorted octahedral arrangement. The N1,N5,N1i,N5i atoms are coplanar and the iron lies in this plane.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1009537830693
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  • 3
    Electronic Resource
    Electronic Resource
    Crystal structure of [Cu2(II)(dmpa)2(p-Cl-C6H5COO)2] (Hdmpa = N,N-dimethyl-3-amino-1-propanol) (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 35-38 
    Details
    ISSN: 1572-8854
    Keywords: copper(II) ; aminoalcoholato ; hydrogen bonding ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The copper complex, [Cu2(II)(dmpa)2(p-Cl-C6H5COO)2], has been prepared and its structure determined using X-ray crystallography. The dimer is a di-μ2-alkoxo complex which is a five-coordinate copper dimer with unsupported alkoxo bridges. The complex crystallizes in the triclinic space group P-1 with a = 11.384(2), b = 14.636(5), c = 9.609(2) Å, α = 100.07(2), β = 104.33(3), γ = 72.79(2)°, V = 1471.8(7) Å3, and Z = 2. The structure is comprised of discrete binuclear clusters in which the metal atoms are bridged by two alkoxo oxygens of the dmpa− ligands. The Cu-O and Cu-N distances are in good agreement with those found for other copper(II) aminoalcoholato complexes. The Cu···Cu distance is 2.9765(6) Å. In the crystal, every two dimeric coordination molecules are combined together by the recognition through intermolecular hydrogen-bonding interactions between the apical water molecule and the non-coordinated O atom from the p-chlorobenzoato ligand, forminga tetramer.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1009542031602
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  • 4
    Electronic Resource
    Electronic Resource
    Synthesis and crystal structure of manganese(III) hydroxyl-containing Schiff base complexes: [Mn(III)(Hvanpa)2]N3 (H2vanpa = 1−(3-hydroxysalicylaldeneamino)-3-hydroxypropane) (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 39-42 
    Details
    ISSN: 1572-8854
    Keywords: manganese(III) ; Schiff base ; hydrogen bonding ; crystal structure ; Jahn-Teller distortion
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The manganese complex, [Mn(III)(Hvanpa)2]N3 has been prepared and the crystal structure determined using x-ray crystallography. The mononuclear complex has a six-coordinate octahedral geometry. The complex crystallizes in the monoclinic space group P21/c with a = 9.867(1), b = 13.316(2), c = 9.0110(1) Å, β = 107.870(1)°, V = 1126.8(2) Å3, and Z = 2. The Mn-O and Mn-N distances in the equatorial plane are in good agreement with those found for other manganese(III) Schiff base complexes. In the axial direction, the Mn-O distances of 2.274(2) Å is about 0.3 Å longer than those in the equatorial plane due to a Jahn-Teller distortion at the d4 manganese(III) center. In the crystal, each azido ion is linked through hydrogen bonding with two hydrogen atoms from the coordinate hydroxyl groups at the apical site.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1009594015672
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  • 5
    Electronic Resource
    Electronic Resource
    Preparation, characterization and crystal structure of an intermolecular compound based on H3PMo12O40·nH2O and diethylamine (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 43-48 
    Details
    ISSN: 1572-8854
    Keywords: molybodophosphoric acid ; crystal structure ; diethylamine
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract An intermolecular compound, H3PMo12O40·5(CH3CH2)2NH·H2O, between the heteropolymolybdate α-H3PMo12O40 and the organic substrate diethylamine, has been synthesized and characterized. Light yellow crystals of the title compound were crystallized from a mixed solvent of water and acetonitrile with formula H3PMo12O40·5(CH3CH2)2NH·H2O. Spectroscopic data support the presence of a sizable electronic interaction between the organic substrate and the inorganic anion in the solid state. The single crystal x-ray structure analysis of the title compound revealed that it crystallized in the triclinic system, space group P $$\overline 1$$ with a = 12.0786(13), b = 12.102(5), c = 21.416(3) Å, α = 94.87(2), β = 94.755(9), γ = 113.81(2)°, V = 2830.3(13) Å3, and Z = 2.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1009546132511
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  • 6
    Electronic Resource
    Electronic Resource
    Synthesis and crystal structure of K3Sb4BO13 (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 53-53 
    Details
    ISSN: 1572-8854
    Keywords: boroantimonate ; borate ; antimonate ; crystal structure ; 49
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract K3Sb4BO13, Mr = 823.11 g.mol−1, crystallizes in the triclinic system, space group P $$\overline 1$$ , Z = 2. The lattice parameters are a = 7.133(1) Å, b = 7.232(1) Å, c = 13.259(2) Å, α = 82.00 (1)°, β = 99.77(1)° and γ = 117.08(1)°, V = 598.7(2) Å3, Dx = 4.566 Mg m−3. The final R index and weighted Rw index are 0.0251 and 0.0623, respectively. The three-dimensional network of the title compound is constituted by layers (Sb3O9)n, similar to that of hexagonal bronze of Magneli. These layers are linked together, in the c direction, alternatively by edge-sharing pairs of SbO6 octahedra and BO3 triangles. This framework has interconnected tunnels, running approximately along the a and b directions, in which the K+ ions are located.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1009598116581
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  • 7
    Electronic Resource
    Electronic Resource
    Crystal structure of a (25R)-2α,3α-epoxy-5α-spirostan-6, 23-dione hemi-ethyl acetate solvate (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 693-697 
    Details
    ISSN: 1572-8854
    Keywords: brassinosteroids ; steroids ; natural products ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The compound (25R)-2α,3α-epoxy-5α-spirostan-6,23-dione, crystallizes as a hemi-ethyl acetate solvate, having two host molecules of similar conformation per molecule of ethyl acetate, in the asymmetric unit. The O atom of the epoxy group is α-oriented. The presence of the epoxy group disturbs the chair conformation in the ring A of the steroidal nucleus. Ring A has a C5α,C10β half-chair conformation. The six-membered rings B, C, and F have chair conformation as expected. The D ring adopts a C14α-envelope conformation and the E ring is midway between a C22α,O3β half-chair and a C22α-envelope conformations. The A/B, B/C, and C/D ring junctions are trans. Crystal data: C27H38O5·1/2C4H8O2, Monoclinic, space group P21, a = 7.7363(18) b = 28.769(12) c = 12.038(6) Å, β = 90.88(5), V = 2679.0(10) Å3, Z = 4. The packing of the molecules is assumed to be dictated by van der Waals interactions and by intermolecular C—H ··· O hydrogen bonds.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1012277425969
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  • 8
    Electronic Resource
    Electronic Resource
    X-ray crystal structure of trans-bis(monoethanolamine) bis(saccharinato)nickel(II) (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 767-771 
    Details
    ISSN: 1572-8854
    Keywords: saccharin ; monoethanolamine ; nickel(II) complex ; hydrogen bonding ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal structure of trans-bis(monoethanolamine)bis(saccharinato)nickel(II), [Ni(C7H4NO3S)2(C2H7NO)2], has been determined from X-ray diffraction data. The metal complex is monoclinic, with a = 11.0555(5), b = 8.9103(4), c = 11.3890(5) Å, β = 105.0230(10)°, Z = 2, and space group P21/c . The structure consists of individual molecules. Two monoethanolamine molecules and two saccharinate anions coordinate the nickel atom forming a distorted octahedron. The monoethanolamine molecules act as a bidentate ligand and form five-membered trans chelate rings, which constitute the plane of the coordination octahedron, while two saccharinate ions behave as a monodentate ligand occupying the axial positions. Intermolecular hydrogen bonds link the molecules to form a three-dimensional infinite structure.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1013292406687
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  • 9
    Electronic Resource
    Electronic Resource
    Novel Cu–Te Clusters Synthesised from tBuTeSiMe3: [Cu18Te6(TetBu)6(PPh2Et)7], [Cu19Te6(TetBu)7(PEt3)8], [Cu27Te15(PiPr2Me)12] and [Cu58Te32(PtBu2nBu)14] (2000)
    Springer
    Journal of cluster science 11 (2000), S. 135-151 
    Details
    ISSN: 1572-8862
    Keywords: copper telluride clusters ; copper telluro-tellurolato clusters ; crystal structure ; influence of phosphine ligands ; Frank-Kasper polyhedron
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Abstract The reactions of CuCl and tBuTeSiMe3 in the presence of phosphine ligands result in the formation of four new Cu/Te cluster complexes, [Cu18Te6(TetBu)6(PPh2Et)7], [Cu19Te6(TetBu)7(PEt3)8], [Cu27Te15(PiPr2Me)12] and [Cu58Te32(PtBu2 nBu)14], which have been structurally characterized by single crystal structural analysis. The former two clusters show a layer-type tellurium frameworks in which the copper atoms are asymmetrically spread. The latter two clusters possess a tellurium framework in a body-centered Te14-Frank-Kasper polyhedron or a Te28 polyhedron with four interstitial tellurium atoms and belong to mixed-valence Cu/Te compounds.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1009016832159
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  • 10
    Electronic Resource
    Electronic Resource
    Cluster Build-up Reactions using Di-gold Cationic Fragments: Synthesis and Structural Characterization of [Os7(CO)19(Au2dppm)] (2000)
    Springer
    Journal of cluster science 11 (2000), S. 217-226 
    Details
    ISSN: 1572-8862
    Keywords: gold ; osmium ; cluster ; carbonyl ; phosphine ; heteronuclear ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Abstract The reaction of the di-gold cation [Au2(dppx)]2+ with the heptanuclear cluster dianion [Os7(CO)20]2− affords the mixed metal cluster [Os7(CO)20{Au2(dppx)}] (x=m (1), e (2), b (3)). On standing, in solution, this complex undergoes decarbonylation to give the cluster [Os7(CO)19{Au2(dppx)}] (x=m (4), e (5), b (6)). The complexes have been characterised spectroscopically, and an X-ray structure determination of the dppm derivative shows that it contains a metal core based on an Os7 edge-bridged bicapped tetrahedron with the two μ 3-Au atoms capping adjacent triangular Os3 faces of the central tetrahedron. In an analogous reaction, the carbido anion [Os7(H)C(CO)19]− affords the neutral cluster [Os7C(CO)19{Au2(dppm)}] (7) when treated with [Au2(dppm)]2+ in the presence of base.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1009025101208
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  • 11
    Electronic Resource
    Electronic Resource
    Crystal structure of 2,2,3-trimethyl-3-(2′,4′,5′-tricyanophenyl) cyclopentyl-1-acetic acid, methyl ester, C20H21N3O2 (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 589-592 
    Details
    ISSN: 1572-8854
    Keywords: Phenylcyclopentaneacetate derivative ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound crystallizes in space group P21/n, with a = 14.600(2), b = 7.091(2), c = 18.211(5) Å, and β = 103.67(2)°. Owing to the centric space group, both C(1) and C(3) chiral centers are either R or S. The acetate group is equatorial, the H(1) and the methyl group at C(3) are axial and reciprocally trans.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1011358327087
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  • 12
    Electronic Resource
    Electronic Resource
    The crystal and molecular structure of spiro[1-(S)-Br-3-(S)-H-4-(R)-l-(1′ R,2′ S,5′R)-menthyloxy-5-oxo-6-oxa-bicyclo[3.1.0]hexane-2,3′-(R)-(4′-(R)-diphenylmethoxy-5′-l-(1′ R,2′ S,5′ R)-menthyloxy-butyrolactone)] (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 737-741 
    Details
    ISSN: 1572-8854
    Keywords: crystal structure ; asymmetric synthesis ; spiro-cyclopropane derivatives
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Crystal structure of C41H53O7Br has been determined by single-crystal X-ray diffraction. The compound crystalline in the orthorhombic space group P212121, with a = 11.264(2), b = 12.058(2), c = 29.337(6) Å, Z = 4. The bond angles of cyclopropane moiety in the molecule are approximate to 60° and agree with theoretic values of the internal angles in a cyclopropane, and two chiral menthyloxy groups are located above and under the whole chiral molecule, respectively. The configuration of the pentacyclic lactone is shown as envelope form.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1012254312765
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  • 13
    Electronic Resource
    Electronic Resource
    Structural Redetermination of Rh4(CO)12 at 293 and 173 K and Analysis of the Thermal Motion in Relation to the Dynamical Behavior (2000)
    Springer
    Journal of cluster science 11 (2000), S. 39-53 
    Details
    ISSN: 1572-8862
    Keywords: thermal motion ; crystal structure ; rhodium carbonyl
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Abstract The structure of Rh4(CO)12 (1) has been redetermined at room temperature and at 173 K. Crystallographic data for 1 at 293 K are as follows: C12O12Rh4, space group P21/c, a=9.209(3), b=11.790(7), c=17.721(8) Å, β=90.46(3)°, V=1924.0(16) Å3, Z=4, 5570 reflections to θ=30.0°, and R=0.030. For 1 at 173 K the data are as follows: space group P21/c, a=9.127(3), b=11.672(6), c=17.492(13) Å, β=90.64(5)°, V=1863.3(18) Å3, Z=4, 3782 reflections to θ=26.3°, and R=0.033. There was no detectable phase change on cooling to 173 K. Crystals of 1 are twinned by pseudo-merohedry, but a satisfactory refinement was obtained by assuming a (100) twinning mirror plane. TLS analysis of the anisotropic displacement parameters at both temperatures has been undertaken. Investigation of the mean square displacement difference between the observed and the rigid body displacement parameters reveals there is a signficant internal motion of the carbonyl ligands relative to the metal skeleton. This motion is consistent with a normal mode or modes of C 3 symmetry.
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    URL: http://dx.doi.org/10.1023/A:1009000428525
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  • 14
    Electronic Resource
    Electronic Resource
    A Novel Cluster Consisting of Seven Fused MX6 Octahedra, Li14(THF)8[Ni7Cl17(μ-formamidinate)3(μ-Cl)]2 (2000)
    Springer
    Journal of cluster science 11 (2000), S. 87-94 
    Details
    ISSN: 1572-8862
    Keywords: nickel cluster ; fluorinated formamidine ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Abstract When a THF solution made from equimolar amounts of methyllithium and N,N′-bispentafluorophenyl formamidine, C6F5NC(H)N(H)C6F5, was added to a suspension of NiCl2 in THF and the mixture refluxed for 12 h, a bright yellow-green solution was formed, from which a bright green crystalline compound was obtained in 〉60% yield upon partial evaporation of the solvent. This compound, Li14(THF)8[Ni7Cl17(μ-formamidinate)3(μ-Cl)]2·9.4THF, crystallizes in the tetragonal space group P4 2/mnm (No. 136) with Z=2. The core consists of two Ni7 units bridged by two Cl atoms.
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    URL: http://dx.doi.org/10.1023/A:1009008630342
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  • 15
    Electronic Resource
    Electronic Resource
    Organically Templated Vanadium Oxide Phases: Synthesis and Structures of [H3NCH2CH2NH3][V2O6] and [HN(CH2CH2)3NH][VV2VIV4O14]·H2O (2000)
    Springer
    Journal of cluster science 11 (2000), S. 433-447 
    Details
    ISSN: 1572-8862
    Keywords: crystal structure ; vanadium oxide ; organic template ; mixed valence
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Abstract The synthesis and crystal structures of [H3NCH2CH2NH3][V2O6] (1) and [HN(CH2CH2)3NH][VV 2VIV 4O14]·H2O (2) are described. The structure of the oxidized compound 1 consists of parallel stacks of vanadium oxide chains of corner sharing {VO4} tetrahedra. The chains are stabilized by extensive hydrogen bonding involving oxide ligands of the chains and ethylenediammonium ions which fill the space between the stacks of chains. The structure of compound 2 consists of vanadium oxide layers separated by doubly protonated 1,4-diazabicyclo[2.2.2]octane and lattice water. The vanadium oxide layers, containing mixed-valence vanadium (VV and VIV) centers, are composed of zigzag ribbons of edge-sharing {VO5} square pyramids interconnected by {VO4} tetrahedra. Crystal data. C2H10N2O6V2 , 1: monoclinic, space group P21/c (No. 14), a=5.5359(5), b=12.9430(12), c=5.6856(5) Å, α=90, β=97.460(2), γ=90°, V=403.93(6) Å3, Z=2. A total of 2506 reflections (θ max=27.89°) was collected, of which 954 were used to resolve the structure. The structure was solved by direct methods and least-squares refinement converged at R=0.0592. C6H16N2O15V6, 2: monoclinic, space group C2 (No. 5), a=19.303(4), b=6.667(2), c=7.579(2) Å, α=90, β=111.31(2), γ=90°, V=908.4(4) Å3, Z=2. A total of 1779 reflections was collected, of which 1591 unique reflections were used for structural elucidation. The structure was solved by direct methods and least-squares refinement converged at R=0.0314.
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    URL: http://dx.doi.org/10.1023/A:1009051500265
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  • 16
    Electronic Resource
    Electronic Resource
    Crystal and molecular structure studies of tris(2-hydroxy-3-t-butyl-5-methylbenzene)-methane trihydrate and N-benzyl-N-phenyl benzamide (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 255-258 
    Details
    ISSN: 1572-8854
    Keywords: THBMBM ; BPB ; crystal structure ; helical packing ; columnar packing ; mesophase transition
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The structures of the title compounds, tris(2-hydroxy-3-t-butyl-5-methylbenzene)-methane)C34H46O3.3H2O, 3) and N-benzyl-N-phenylbenzamide (C20H17NO, 6), have been investigated by X-ray crystallography. Compound 3 crystallizes in the trigonal space group $$P\bar 3 $$ with cell parameters a = 14.090(5) Å, b = 14.090(5)Å, c = 10.485(5)Å, Z = 2. Compound 6 crystallizes in the monoclinic space group C2/c with cell parameters a = 24.533(4)Å, b = 9.176(4)Å, c = 16.711(5)Å, β = 125.88(2)°, Z = 8. Compound 3 has both intra-and intermolecular hydrogen bonds. It also exhibits a helical columnar arrangement of the molecules and goes into mesophase before melting into an isotropic liquid.
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    URL: http://dx.doi.org/10.1023/A:1009595123416
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  • 17
    Electronic Resource
    Electronic Resource
    Synthesis and crystal structure of 4-(p-methoxyphenyl)-3, 5-bis(4-pyridyl)-1,2,4-triazole (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 429-432 
    Details
    ISSN: 1572-8854
    Keywords: Triazole ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The 4-(p-methoxyphenyl)-3,5-bis(4-pyridyl)-1,2,4-triazole has been synthesized and its crystal structure has been determined by X-ray diffraction methods. It crystallizes in the monoclinic space group P21/n, with a = 12.5832(6) Å, b = 7.0512(5) Å, c = 18.4669(12) Å, β = 96.826(1)°, and Dcalc = 1.345 g cm−1 for Z = 4. In the structure, two pyridyl rings, phenyl ring, and triazole ring do not share a common plane. The most favored orientation of the pyridyl rings in the crystal is that their planes are inclined toward opposite directions with respect to the triazole ring.
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    URL: http://dx.doi.org/10.1023/A:1009542208264
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  • 18
    Electronic Resource
    Electronic Resource
    Crystal structure and spectroscopy of the low-spin iron(II) compound: tris(bipyrimidine)iron(II) bis(triflate), [Fe(bipym)33](CF3SO3)2 (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 441-444 
    Details
    ISSN: 1572-8854
    Keywords: 2,2′-Bipyrimidine ; low-spin ; iron ; crystal structure ; infrared
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The compound [Fe(bipym)33](CF3SO3)2 (in which bipym = 2,2′-bipyrimidine) crystallizes in the space group P21/c, with a = 13.7641(11), b = 18.7557(19), c = 12.3627(11) Å, β = 103.085(8)° and Z = 4. The low-spin Fe(II) atom is octahedrally surrounded by six nitrogen atoms of three bipyrimidine groups with Fe—N distances that vary from 1.968(4) to 1.975(4) å. In the far-infrared region the Fe—N vibrations are observed at 359 and 372 cm-1.
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    Crystal structure of a novel bis(guanidiniums) compound incorporated by sulfate anion (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 483-487 
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    ISSN: 1572-8854
    Keywords: Bis(guanidiniums) ; sulfate anion ; hydrogen bond ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Crystal structure of a novel bis(guanidiniums) compound 1 by sulfate anion and water, C11H20N6OċSO4ċH2O, was measured by X-ray crystallographic analysis with an “imaging plate” method. It possesses space group P21/c, with a = 7.6433(15), b = 19.447(4), c = 12.115(2) Å, β = 107.81(3)°, and φcalc = 1.420 mg/m3 for Z = 4. Crystal data indicate that the architecture network is formed through hydrogen bonds, electrostatic interactions, and arene–arene stacking interaction among the bis(guanidiniums) compound, the sulfate anion and water molecule.
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  • 20
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    Redetermination of the structure of bis[chloro-2-(2-hydroxy-4,5-dimethylphenylazo)-5,5-dimethyl-4,5,6,7-tetrahydrobenzothiazol-7-on] copper(II) complex (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 505-507 
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    ISSN: 1572-8854
    Keywords: Bis[chloro-2-(2-hydroxy-4,5-dimethylphenylazo)-5,5-dimethyl-4,5,6,7-tetrahydrobenzothiazol-7-on]copper(II) ; thiazolylazo dye ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal structure of C17H18ClCuN3O2S (M = 854.78, monoclinic, P21/c, a = 8.316(2), b = 18.461(4), c = 11.774(2) Å, β = 99.64(3)°, V = 1782.0(7) Å3, Z = 4) is formed by dimeric molecules [C17H18ClCuN3O2S]2 with two monomeric units linked together by two chlorine atoms. The Cu atom is coordinated by two chlorine atoms, an oxygen atom, the azo nitrogen atom attached to the benzene ring, and the nitrogen atom of the thiazole ring, in the form of a distorted tetragonal pyramid.
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  • 21
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    Synthesis and crystal structure of the perchlorate salt of diprotonated N,N′-bis(1-methylimidazole-2-methyl)1,5-diazacyclooctane (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 531-534 
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    ISSN: 1572-8854
    Keywords: 1,5-Diazacyclooctane (DACO) ; crystal structure ; boat/chair configuration
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The diprotonated perchlorate salt of a new 1,5-diazacyclooctane (DACO) mesocycle functionalized by two imidazole pendants, N,N′-bis(1-methylimidazole-2-methyl)-1,5-diazacyclo-octane (C16H28N6Cl2O8), has been synthesized and the structure determined by X-ray diffraction analysis. The title compound crystallizes in the monoclinic system, space group P21/c with a = 11.964(2), b = 13.251(3), c = 14.741(3) Å, β = 106.00(3)°, Mr = 503.34, V = 2246(1) Å3, Z = 4. The crystal structure of the title compound reveals that the DACO ring is also folded up into the “chair/boat” configuration, which is consistent with the configuration in most of the transition metal complexes of DACO and its derivatives. The two imidazole pendants of the compound are in cis position with a dihedral angle of 16.0(4)°.
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    Structural and spectroscopic characterization of tris (o-phenanthroline)iron(II) disaccharinate monosaccharin hexahydrate (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 539-544 
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    ISSN: 1572-8854
    Keywords: Iron(II) ; o-phenanthroline ; saccharinate ; crystal structure ; spectroscopic properties ; thermal behavior
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal and molecular structure of the title compound, for short [Fe(o-phen)3](sac)2·(Hsac)·6H2O, has been determined by X-ray diffraction methods. It crystallizes in the monoclinic space group P21/n with a = 16.3190(1), b = 19.2890(1), c = 17.4490(2) Å, β = 92.586(1)°, V = 5486.95(8) Å3 and, Z = 4. The investigated compound constitutes the first example of a species in which uncoordinated saccharin and saccharinate anions are present in the structure. The crystallographic results reveal the subtle differences between the structure of the neutral molecule and its anion. The complex was also characterized by means of infrared, electronic, and 57Fe-Mössbauer spectroscopy. Its magnetic susceptibility was determined at room temperature and its thermal behavior investigated by means of thermogravimetric and differential thermal analytical techniques.
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  • 23
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    Synthesis and X-ray structure of [(H3O)(C14H20O5)2][Me2NH2]2 [PMo12O40] · 2C14H20O5 (C14H20O5 = benzo-15-crown-5; Me2NH = dimethylamine) (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 577-581 
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    ISSN: 1572-8854
    Keywords: Oxonium ions ; crystal structure ; molybdophosphate ; crown ether
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract [(H3O)(C14H20O5)2][Me2NH2]2 [PMo12O40] · 2C14H20O5 1 was synthesized from benzo-15-crown-5 and H3PMo12O40·24H2O in N,N′-dimethylformamide for the first time. 1 crystallizes in the monoclinic space group C2/c with a = 18.583(4), b = 25.510(5), c = 19.904(4) Å, β = 94.66(3)° D c = 2.124 mg/m3 for Z = 4. Refinement based on 7358 observed reflections led to a R1(wR2) = 0.0378(0.0761). The complex cation, [(H3O)(C14H20O5)2]+, exhibits a sandwich structure by hydrogen-bonding in the mean distance of 2.955 Å. The anion, PMo12O40 3−, is a α-Keggin structure.
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  • 24
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    Synthesis, spectroscopy, and X-ray structure of the polymer catena-[bis(azido-N)-copper(II)-μ-bis(2-benzimidazolyl)butane] (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 69-72 
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    ISSN: 1572-8854
    Keywords: azido ; crystal structure ; copper(II) ; infrared ; polymeric
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound, catena-[bis(azido-N)-copper(II)-μ(bis(2-benzimidazolyl)butane), [Cu(C18H18N4)(N3)2]n, was obtained from the reaction of the ligand bis(2-benzimidazolyl)butane and Cu(N3)2. The x-ray crystal structure is reported. The compound crystallizes in the monoclinic space group P21/c with a = 8.2524(10), b = 12.765(5), c = 9.1125(15) Å, β = 106.423(12)°, Z = 2. The Cu(II) ions are square-planar coordinated with trans-oriented end-on binding azido ligands. The structure is a polynuclear chain with the benzimidazole bridging at each end. In addition a N(ligand)-H···N(azido) H-bridge [N(ligand)···N(azido) = 2.994(7) Å] is present, resulting in a pseudo 2-dimensional lattice. The characteristic azido infrared vibrations are found at 2060 and 2077 cm−1 (νas(N3)) and 1284 and 1297 cm−1 (ν(N3)).
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  • 25
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    Synthesis and crystal structure of [Tb4(H2O)2](C2O4)2(C5H6O4)4 (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 633-639 
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    ISSN: 1572-8854
    Keywords: Lanthanide ; oxalate ; glutarate ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract A terbium complex associating two ligands, oxalate and glutarate, was prepared under hydrothermal conditions at 200°C by treating an aqueous suspension of terbium oxalate decahydrate with glutaric acid and guanidinium carbonate. Its structure was solved by X-ray diffraction on a single crystal. It crystallizes in the monoclinic space group P21 with lattice constants, a = 9.514(1) Å, b = 9.0681(8) Å, c = 19.702(2) Å, and β = 97.90(1)°. The terbium atoms and the oxalate ligands build dense chains which are connected by one side of the carboxylic group of some glutarate ligands, thus forming a sheet at the c level ≅ 0 and 1/2. These sheets are bridged by glutarate groups. The terbium atoms are ninefold coordinate with nine oxygen atoms of the ligands or with one water molecule and eight oxygen atoms of the ligands. Each polyhedron of the terbium atoms share one edge and one face of oxygen atoms with the two neighboring ones. The oxalate ligands are bischelating and bismonodentate. The coordination scheme of glutarate differs: either they are bismonodentate from one side and chelating and monodentate from the other side or they are chelating and monodentate from both sides.
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    Terbium and holmium trans-2,3-dimethylacrylic acid complexes with 1,10-phenanthroline (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 777-782 
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    ISSN: 1572-8854
    Keywords: terbium complex ; holmium complex ; crystal structure ; trans-2,3-dimethylacrylic acid
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Novel dinuclear complexes, [REL3(phen)]2 (where RE = Tb, Ho; HL = trans-2,3-dimethylacrylic acid; phen = 1,10-phenantheoline), were synthesized and determined by elemental analysis, infrared absorption spectra (IR), thermogravimetric analysis (TGA), and X-ray diffraction. The Tb complex crystallizes in space group P21/n with the cell dimensions a = 12.939(2) Å, b = 13.018(2) Å, c = 15.400(3) Å and β = 94.72(1)°. The Ho complex crystallizes in P (9) with a = 12.406(3) Å, b = 13.280(3) Å, c = 9.823(2) Å, α = 110.80(2)°, β = 103.42(2)°, γ = 63.67(1)°. The Tb atom is nine coordinate and the separation of Tb...Tb* is 3.97 Å. The Ho atom is eight coordinate and the separation of Ho...Ho* is 4.01 Å.
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    Synthesis and crystal structure of 1-(1′,3′-dimethyl-5′-chloropyrazol-4′-carbonyl′-3-(2′-chlorophenyl)-5-amino-4-cyanopyrazole (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 789-792 
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    ISSN: 1572-8854
    Keywords: crystal structure ; pyrazolide
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound 1-(1′,3′-dimethyl-5′-chloropyrazol-4′-carbonyl)-3-(2′-chlorophenyl)-5-amino-4-cyanopyrazole (C16H12Cl2N6O) has been synthesized and characterized by X-ray diffraction: Triclinic, space group P1, with a = 8.6712(8) Å, b = 9.5091(10) Å, c = 11.2170(11) Å α = 71.531(2)°, β = 84.683(2)°, γ = 74.099(2)° Z = 2; V = 843.7(14) Å3. C(10), O(1), C(11), and N(2) atoms are coplanar with the average deviation of 0.0071 Å, which form 11.03° and 43.93° dihedral angles with pyrazole planes (I) and (II), respectively.
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    Structure, thermal behavior, and IR investigation of bis(3-amino-1,2,4-triazolium)monohydrogen monophosphate (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 805-809 
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    ISSN: 1572-8854
    Keywords: organic phosphate ; crystal structure ; DTA/TG/DSC ; IR spectra
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Chemical preparation, calorimetric studies, crystal structure, and IR spectrometric investigation of (C2H5N4)2HPO4, denoted ATZP, are described. The compound crystallizes in the monoclinic system with C2/c space group. Its unit cell dimensions are a = 13.589(2) Å b = 11.105(2) Å c = 15.734(3) Å β = 104.68(2)°, V = 2296.8(7) Å3, and Z = 8. The structure of the title compound consists of a three dimensional network of H-bonds connecting all its components. The IR spectrum of ATZP is reported and discussed on the basis of group theoretical analysis.
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    Crystal structure of [WI2(CO)2{P(OiPr)3}(η2-EtC2Et)] (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 181-184 
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    ISSN: 1572-8854
    Keywords: tungsten(II) ; diiodo ; dicarbonyl ; triisopropylphosphite ; 3-hexyne ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract [WI2(CO)2{P(OiPr)3}(η2-EtC2Et)] crystallizes in the monoclinic space group P21/n, with a = 11.101(12), b = 16.272(18), c = 14.892(17) Å, β = 93.27(1), Z = 4. The geometry can be considered to be pseudo-octahedral, with the 3-hexyne ligand occupying one site, with two iodo-groups, and the P(OiPr)3 ligand completing the equational plane of ligands, with two trans-carbonyl groups occupying the axial sites.
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    Synthesis, crystal structure and molecular modeling (AM1) of two 5-arylidene derivatives of Meldrum's acid (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 189-194 
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    ISSN: 1572-8854
    Keywords: crystal structure ; AM1 ; x-ray diffraction ; Meldrum's acid
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The synthesis and structural characterization of two 5-Arylidene derivatives of Meldrum's acid (2,2-dimethyl-1,3-dioxane-4,6-dione) are described: 5-(4-Nitrobenciliden)-2,2-dimethyl-1,3-dioxane-4,6-dione (3a), and 5-(4-Methoxybenciliden)-2,2-dimethyl-1,3-dioxane-4,6-dione (3b). The structure of 3a was refined to R1 = 0.0421 for 2148 reflections (with I 〉 2σ (I)). Crystal data for 3a: C13H11NO6, orthorhombic, space group Pbca, a = 16.008(3), b = 6.137(1), c = 25.281(5) Å, V = 2483.6(8) Å3, Z = 8. The structure of 3b was refined to R1 = 0.0496 for 4681 reflections (with I 〉 2σ(I)). Crystal data for 3b: C14H14O5, triclinic, space group P1, a = 9.131(2), b = 9.922(2), c = 14.490(3)Å, α = 85.076(6), β = 84.80(3), γ = 89.37(2)°,V = 1302.4(5) Å3, Z = 4. The results of crystallographic and molecular modeling (AM1) were compared. The molecules in the crystal are held together, in both compounds, by van der Waals forces and C—H···O hydrogen bond interactions.
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    Separation of rosin acids by molecular recognition: crystal structure of the complex of neoabietic acid with 2-amino-6-methyl-pyridine (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 195-198 
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    ISSN: 1572-8854
    Keywords: neoabietic acid ; amino(methyl)pyridine ; crystal structure ; molecular recognition ; H-bonding ; rosin acid
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Neoabietic acid has been separated from gum rosin mixture by the aid of molecular recognition using 2-amino-6-methyl-pyridine as recognition reagent. The complex of neoabietic acid with 2-amino-6-methy-pyridine crystallizes from ether solution in the monoclinic, space group P21 with cell parameters of a = 7.370(1), b = 8.692(1), c = 18.365(2) Å, β = 92.53(1)°,V = 1175.3(2) Å3 and Z = 2. X-ray structure analysis shows that an extensive H-bonding network exists between neoabietic acid and amino(methyl)pyridine, which is considered as one of the factors resulting in successfully separating the neoabietic acid from the gum rosin mixture.
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    Crystal structure of a novel tertiary phosphine coordination complex: dichlorobis(tribenzylphosphine)nickel(II) (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 173-176 
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    ISSN: 1572-8854
    Keywords: phosphine ; nickel(II) complexes ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound dichlorobis(tribenzylphosphine)nickel(II), Ni[P(CH2C6H5)3]2Cl2, belongs to a type of tertiary phosphine coordination complex, M(PR3)2X2. There are two molecules in the unit cell which do not appear to interact chemically. Both molecules have a trans-square planar configuration with each nickel atom on a center of symmetry. Three benzyl groups are bonded to each phosphorus atom as rotors in a propeller, and the threefold axis is along the P—Ni bond, which has a mean length of 2.23(1) Å. Crystal data: C42H42Cl2NiP2, Triclinic, space group $$P\bar 1 $$ , a = 10.4892(15) b = 10.5249(12) c = 19.453(2) Å, α = 83.872(8), β = 76.839(9), γ = 62.241(8)°, V = 1850.5(4) Å3, Z = 2. There is an intramolecular hydrogen bond between the C3 and C11 atoms.
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    Analysis of Diffusion in Hollow Geometries (2000)
    Springer
    Adsorption 6 (2000), S. 125-136 
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    ISSN: 1572-8757
    Keywords: diffusion ; mathematical model ; analytical solution ; hollow material ; composite material ; mass transfer
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Physics , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Abstract The diffusion in hollow particles of solid adsorbent materials was analyzed based on analytical solutions to the basic diffusion equation. Three geometric shapes (plane sheet, cylinder, and sphere) of sorbent material were considered for two kinds of boundary conditions. The equations for determining the equivalent sizes compared to their corresponding solid particles were obtained directly from the theoretical expressions of sorption uptake curves. Among the three hollow particles of impermeable inner surface, the sphere gives the highest gain in effective diffusion rate compared to the corresponding solid particle. For permeable inner surface, at lower hollow volume fractions, the plane sheet shows the highest gain, while at higher hollow volume fractions, the sphere shows the highest gain in effective diffusion rate.
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    A dinuclear cyanide-bridged complex, [(DMF)4(H2O)3LuCo(CN)6]·H2O (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 671-675 
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    ISSN: 1572-8854
    Keywords: Synthesis ; crystal structure ; lutetium(III) ; cobalt(III) hexacyanide ; cyanide bridging
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal structure of the bimetallic cyanide bridged complex [(DMF)4(H2O)3LuCo(CN)6]·H2O (1) was obtained by single-crystal X-ray diffraction. The central lutetium(III) ion is eight coordinate arranged in a square antiprism while the cobalt(III) ion is six coordinate, oriented octahedrally. Molecules in the crystal lattice are held together by a network of hydrogen bonding. Crystallization of 1 occurs in the centrosymmetric monoclinic space group P21/c (No. 14) with a = 13.875(2), b = 8.8352(9), c = 24.633(2) Å β = 96.392(8)° and Z = 4.
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    Identification of a new family of diphosphate compounds, AI2BII3(P2O7)2: Structures of Ag2Co3(P2O7)2, Ag2Mn3(P2O7)2, and Na2Cd3(P2O7)2 (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 705-716 
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    ISSN: 1572-8854
    Keywords: mixed metal diphosphates ; AI 2BII 3(P2O7)2 ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Syntheses and single-crystal X-ray structural results are reported for three new mixed diphosphates of the family AI 2BII 3(P2O7)2; Ag2Co3(P2O7)2 (I), Ag2Mn3(P2O7)2 (II), and Na2Cd3(P2O7)2 (III). All crystallize in the triclinic system, space group P1 bar: (I) a = 5.351(4), b = 6.375(4), c = 16.532(4) Å, α = 80.83(6) β = 81.45(4), γ = 72.87(5)°, V = 528.9(6) Å3, Z = 2, D calc = 4.649 mg/m3, R/Rw = 0.0428/0.0548 for 3949 obs. reflns; (II) a = 5.432(7), b = 6.619(6), c = 16.51(3) Å, α = 80.78(8) β = 82.43(9), γ = 72.82(7)°, V = 557.7(13) Å3, Z = 2, D calc = 4.338 mg/m3, R/Rw = 0.0679/0.1303 for 2100 obs. reflns and (III) a = 5.67(3), b = 7.08(4), c = 7.90(4) Å, α = 77.0(2), β = 82.5(2), γ = 67.8(2)°, V = 286(3) Å3, Z = 2, D calc = 4.249 mg/m3, R/Rw = 0.0307/0.0342 for 1945 obs. reflns. (I) and (II) are isostructural but (III) is of a different type. All three structures are characterized by layers of P2O7 groups alternating with layers of mixed metal atoms. Differences are seen in the conglomerate bonding patterns of B atoms and in the irregular geometry of Ag in (I) and (II) compared to the octahedral bonding seen for Na in (III). The differences in structure may be understood in terms of the ratios of the ionic radii of A and B atoms.
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    Crystal structure of diethoxynitrobenzene-p-tert-butylcalix [4]arene⋅2(CH3)2C=O: Evidence of intra- and intermolecular CH/π interactions forced by crystal packing (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 717-720 
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    ISSN: 1572-8854
    Keywords: calix[4]arene ; CH/π interaction ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Diethoxynitrobenzene-p-tert-butylcalix[4]arene⋅2(CH3)2C=O crystallized in the monoclinic system, space group P21/c, with cell dimensions a = 16.1437(2) Å, b = 21.0292(2) Å, c = 18.9685(3) Å and β = 110.308(1)°. The asymmetric unit consists of a diethoxynitrobenzene-p-tert-butylcalix[4]arene molecule and two solvated acetone molecules. Besides the usual CH/π interaction between p-tert-butylcalix[4]arene π cavity and a solvated acetone, this structure shows the intra- and intermolecular CH/π interactions among a nitrobenzene ring, ethylene bridge of the ethoxynitrobenzene side chain and a solvated acetone molecule.
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    Crystal structure of a 26-membered hexaaza macrocycle bearing hydroxyethyl pendants containing p-xylyl spacers (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 743-747 
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    ISSN: 1572-8854
    Keywords: macrocycle ; hydroxyethyl pendant ; crystal structure ; hydrogen bonds
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The new macrocyclic compound bearing hydroxyethyl pendant arms containing p-xylyl spacers, 3,6,9,16,19,22-hexaaza-6,19-bis(2-hydroxyethyl)-tricyclo[22,2,2,211,14] triaconta-1,11,13,24,27,29-hexaene, crystallizes in the monoclinic space group P21/c with a = 8.700(2) Å, b = 18.301(4) Å, c = 11.766(2) Å, β = 108.57(2)°. The two hydroxyethyl pendants are at the opposite sides of the macrocyclic plane. Benzene rings in macrocycle are parallel and exist the π-π weak interaction with distance of 4.28 Å. The crystal packing of the macrocycle is stabilized by the hydrogen bonds.
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    Crystal structure, thermal analysis, and IR spectrometric investigation of bis(tert-butylammonium) sulfate (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 799-804 
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    ISSN: 1572-8854
    Keywords: organic sulfate ; crystal structure ; DTA/TG/DSC ; IR spectra
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Chemical preparation, X-ray single crystal, thermal analysis, and IR spectrometric investigation of (C4H12N)2SO4, denoted tBAS, are described. The compound crystallizes in the monoclinic system with C2/c space group. Its unit cell dimensions are a = 11.1585(5) Å, b = 6.2148(4) Å, c = 20.070(1) Å, β = 102.004(4)°, V = 1361.4(1) Å3, and Z = 4. The crystal structure of tBAS can be described as a typical thick layered organization built by all the components of the structure and centered by planes z = 1/4 and 3/4. Connection in these layers are established by N—H···O hydrogen bonds. Thermal analysis shows a reversible weak phase transition.
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    Crystal structure and spectroscopy of bis-[bis(2-benzimidazolyl)propane]copper(II) bis(triflate)monohydrate, a copper complex with a geometry intermediate between tetrahedral and square planar (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 793-797 
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    ISSN: 1572-8854
    Keywords: copper ; bis(benzimidazoles) ; crystal structure ; infrared
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The structure of a mononuclear copper(II) compound with the ligand bis(2-benzimidazolyl)propane (abbreviated as tbz) is reported. The compound [Cu(tbz)2](CF3SO3)2(H2O) crystallizes in the triclinic space group P $$\bar 1$$ , with a = 12.363(6), b = 13.218(9), c = 15.365(8) Å, α = 82.74(5), β = 68.04(4), γ = 65.30(5), and Z = 2. The Cu(II) atom has a geometry intermediate between tetrahedral and square planar, consisting of four nitrogen atoms of two tbz ligands. The Cu—N—Cu angles are about 135°, while the dihedral angle between them amounts to 62° (0° for square planar and 90° for a tetrahedron). Ligand field bands are observed at 10.2 × 103, 13.8 × 103, and 20.3 × 103 cm−1, while the most characteristic infrared vibrations of the triflate anion are observed at 1273, 1260, 1238, 1221, 1171, and 1157 cm−1.
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    Crystal structure and thermal analysis of 1,5-diammonium-2-methyl pentane sulfate monohydrate (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 95-98 
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    ISSN: 1572-8854
    Keywords: organic sulfate ; crystal structure ; DTA/TG/DSC
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Chemical preparation, x-ray single crystal, and thermal analysis of C6H18N2SO4·H2O (denoted DMPS) are described. The compound crystallizes in the triclinic system with P $$\overline 1$$ space group. Its unit cell dimensions are a = 5.826(1) Å, b = 10.014(1) Å, c = 11.221(1) Å, α = 66.716(1)°, β = 84.395(1)°, γ = 83.759(1)°, V = 596.7(1) Å3, and Z = 2. The DMPS structure is built up from inorganic chains parallel to the a axis and linked via O(W)-H···O hydrogen bonds. These chains are interconnected by organic groups. Thermal analysis reveals the presence of one water molecule in the structure and shows a reversible weak phase transition.
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    Molecular structure and 1H, 13C NMR assignments of 1,3,5-tris(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 115-118 
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    ISSN: 1572-8854
    Keywords: 1,3,5-tris(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene (titmb); crystal structure; hydrogen bonding; 2D NMR ; crystal structure ; hydrogen bonding ; 2D NMR
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The molecule 1,3,5-tris(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene (titmb) crystallizes as a monohydrate in the monoclinic space group C2/c with a = 20.888(4), b = 13.220(2), c = 14.385(2) Å, β = 90.36(1)°. Two of three imidazole groups are on one side of the central benzene ring, and the other one is on the opposite side. The crystal packing of titmb is stabilized by O-H--N hydrogen bonding between the water molecule and nitrogen atoms of the imidazole group. The complete 1H and 13C NMR assignments for titmb were carried out by 2D NMR spectral measurements.
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    Crystal structure of 2,6-dimethylpyridinium hydrogen phthalate (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 119-122 
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    ISSN: 1572-8854
    Keywords: phthalic acid ; 2, 6-dimethylpyridine ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract A new crystal of 2,6-dimethylpyridinium hydrogen phthalate (DPMHP) has been prepared and characterized by x-ray crystallography. DPMHP crystallizes in the monoclinic space group C2/c with a = 26.105(3), b = 8.2250(10), c = 13.8750(10) Å, β = 116.02(1)°, V = 2677.2(5) Å3, and Z = 8. The 2,6-dimethylpyridinium (DPM) is held with the hydrogen phthalate ion (HPI) by intermolecular hydrogen bond of N-H-O. A noncentered hydrogen atom is involved in the short intramolecular hydrogen of O-O [2.398(2) Å] between the neighboring carboxylic groups. The phenyl ring of the HPI appears to be deformed in comparison with the original. The entity of HPI in itself and DMPMHP as a whole are arranged in a rumple pattern. The geometrical arrangement in the crystal structure is characterized by the formation of laminar ribbons of DPMHP.
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    The crystal structures of two reaction products of α-halopyruvamide with nitrogen and sulfur nucleophiles (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 109-113 
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    ISSN: 1572-8854
    Keywords: α-halopyruvamide derivatives ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Two compounds have been prepared during the investigation of the reactivity of α-halopyruvamides. The reaction products: 3-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carboxamide (1) and 7-carbamoyl-5-phenyl-2,3-dihydro[1,3]thiazolo[4,3-b][1,3]thiazol-4-ium chloride (2) were structurally characterized by x-ray crystallography. Compound 1 crystallizes in the orthorhombic space group Pca21 with a = 28.813(2), b = 9.369(1), and c = 9.361(1) Å. The structure contains two crystallographically different molecules. Compound 2 crystallizes in the monoclinic space group P21/c with the following cell parameters: a = 8.5895(8), b = 22.499(2), c = 7.4133(6) Å, and β = 110.204(1)°.
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    Synthesis and molecular structure of N-[3-(p-bromophenyl)-1,2,4-oxadiazol-5-yl]methylphthalimide. III. (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 131-134 
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    ISSN: 1572-8854
    Keywords: 1,2,4-Oxadiazole ; crystal structure ; phthalimide derivative ; AM1 method ; STO-3G basis set
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The synthesis, spectroscopic studies and crystal structure of the title compound is described. The crystallographic studies showed that the p-bromophenyl group is very nearly coplanar with the 1,2,4-oxadiazole ring. The nearly planar phthalimide group makes an angle of about 98° with the bromophenyloxadiazole plane. Semi-empirical (AM1) and ab initio (STO-3G, 6-31G) molecular orbital calculations have been carried out for this compound and a comparison of bond angles, bond lengths and torsion angles has been made with the experimental values, which are remarkably close to each other. This compound crystallizes in the monoclinic space group P21/c with a = 13.6299(2),b = 13.9836(2), c = 8.4817(2) Å, β = 101.9070(10)°, V = 1581.79(5) Å3, and Z = 4.
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    Crystal and molecular structure of augustamine (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 135-138 
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    ISSN: 1572-8854
    Keywords: alkaloid ; tazettine type ; amaryllidaceae ; crystal structure ; molecular mechanics
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal and molecular structure of augustamine (1), C17H19NO4 an amaryllidaceae alkaloid of the tazettine group has been determined by direct methods from single crystal x-ray diffractometer data and refined by full-matrix least squares. The alkaloid (1) crystallizes in the space group P212121, with cell parameters: a = 7.833(8) b = 11.08(2) å, c = 16.69(6) Å, Z = 4, Dc = 1.381 g/cm−3, R = 7.6% for 1115 observed reflections. The molecule, having a hexacyclic ring system, is very rigid with the ring B in a chair conformation. Molecular mechanics calculations have been made using MM3(2000) force field.
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    Synthesis, crystal structure of a one-dimensional cobalt—azide complex through hydrogen bond (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 159-162 
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    ISSN: 1572-8854
    Keywords: crystal structure ; cobalt (II) complex ; one-dimensional chain ; hydrogen bond
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract A one-dimensional chain complex, {[Co(bpm)2(N3)2][Co(bpm)2(H2O)2]} (ClO4)2, (bpm being bis(pyrazol-l-yl)methane), has been synthesized and characterized by X-ray diffraction: triclinic, space group P - 1 with a = 8.805(2) Å, b = 8.902(2) Å, c = 13.621(3) Å, α = 84.27(3)°, β = 84.63(3)°, γ = 80.05(3)°, V = 1043.2(4) Å3, Z = 1. Two cobalt atoms have ideal octahedral environments with different coordination atoms. One cobalt atom is six-coordinated with nitrogen atoms from two bpm ligands and two azide ligands, while the other cobalt atom is coordinated by four nitrogen atoms from bpm and two oxygen atoms from water molecules. The complex forms one-dimensional chain through hydrogen bonds.
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    Syntheses, characterization, and structural analyses of several f-block isothiocyanatonitrato complexes (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 301-309 
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    ISSN: 1572-8854
    Keywords: Synthesis ; crystal structure ; dioxouranium(VI) ; lanthanide(III) ; thiocyanate ; nitrate
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Reactions of tetra-n-butylammonium thiocyanate with lanthanide and uranyl nitrates yield complexes of the general type [(Bu)4N]x[M(NCS)y(NO3)z]. Samples of [(Bu)4N]2 [UO2(NCS)3( NO3)] (1), [(Bu)4N]3[Yb(NCS)4(NO3)2] (2), and [(Bu)4N]3[Nd(NCS)4(NO3)2rsqb; (3) were prepared from alcohol solutions. Crystallization of 1 occurs in the centrosymmetric monoclinic space group C2/c (No. 15) with a = 17.949(4) Å, b = 16.587(3) Å, c = 16.763(3) Å; β = 99.77(3)°; and Z = 4. The seven-coordinate uranium(VI) ion exhibits a pentagonal bipyramid coordination environment. Crystallization of 2 occurs in the centrosymmetric orthorhombic space group Pnnn (No. 48) with a = 12.530(2) Å, b = 12.9440(10) Å, c = 21.203(2) Å; Z = 2. The eight-coordinate ytterbium(III) ion expresses a dodecahedral coordination environment. Crystallization of 3 occurs in the noncentrosymmetric monoclinic space group Cc (No. 9) with a = 16.556(2) Å, b = 18.130(2) Å, c = 23.984(4) Å; Z = 4. The 10-coordinate neodymium(III) ion exhibits a dodecahedral coordination environment. Characterization includes physical property determinations, conoscopic studies, IR spectroscopic identifications, and UV spectral data. Details of the syntheses along with selected bond distances and angles are presented and discussed.
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    A dimeric pervanadyl (VO2+) complex with a tridentate Schiff base ligand (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 329-333 
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    ISSN: 1572-8854
    Keywords: Pervanadyl complex ; Schiff base ; di(μ-oxo)-bridged dimer ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract A di(μ-oxo)-bridged dinuclear complex, [VO2(pamh)]2 was isolated by reacting bis(acetylacetonato)vanadium(IV) and the Schiff base, N-(anisoyl)-N′-(picolinylidene)-hydrazine (Hpamh) in acetonitrile. The complex crystallizes in the space group $$P\bar 1 $$ ;1; (#2) on crystallographic inversion center. Crystal data: a = 8.2202(12) Å, b = 9.8389(19) Å, c = 10.1907(17) Å, α = 68.245(15)°, β = 74.47(2)°, γ = 66.710(19)°, V = 696.0(2) Å3, and Z = 1. The physical properties of the complex and the structural parameters are consistent with the +5 oxidation state of the metal ions. The monomeric VO2(pamh) unit is square-pyramidal. The planar mononegative ligand (pamh−) coordinates the metal ion via the pyridine-N, the imine-N, and the amide-O atoms. One of the oxo groups completes the NNOO basal plane and also participates in the Vndash;Ondash ;V bridge formation. The other oxo group satisfies the fifth apical coordination site. The molecular structure of the dimeric complex, [VO2(pamh)]2 can be described as two edge-shared distorted VO4N2 octahedra.
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    Crystal structure and spectroscopy of a hydrogen-bridged one-dimensional Cu(II) complex containing both octahedral and square pyramidal geometries in the same unit cell (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 351-357 
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    ISSN: 1572-8854
    Keywords: Helical hydrogen-bridged one-dimensional Cu(II) complex ; trans-4-styrylpyridine ; crystal structure ; IR and electronic spectroscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Single crystals of the helical hydrogen-bridged one-dimensional Cu(II) complex, [Cu(stpy)2(CH3COO)2(H2O)2] (1) [Cu(stpy)2(CH3COO)2(H2O)] (2), are prepared and characterized by elemental and thermal analyses, IR, electronic and X-ray crystal structure determination. The crystals are monoclinic, of space group C2/c, with unit cell parameters a = 31.842(7) Å, b = 5.9829(10) Å, c = 30.970(14) Å, β = 111.78(3)°, Z = 4. The asymmetric unit contains two different types of Cu(II) polyhedra, namely, octahedron and square pyramid within the same unit cell. 1 has elongated octahedral geometry with two nitrogen atoms from stpy and two oxygen atoms from synmonodentate acetate ligands, transcoordinated to Cu(II) in the basal plane. The oxygen atoms of the two water molecules occupy the axial positions. 2 has Cu(II) coordination polyhedra similar to 1, except that only one of the apical positions is occupied by a water molecule. The structure consists of two independent linear chains, one involving octahedral (1) and the other involving square-pyramidal (2) polyhedra, held by hydrogen bridges. The Cu–Cu intra- and interchain separations in both 1 and 2 are 5.983 and 8.214 Å. The unit cell packing shows weak π-stacking between adjacent coordinated stpy ligands in the chain, resulting in ladder-type structure. Further, the extended packing reveals helical arrangement of Cu(II) polyhedra in the lattice.
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    Crystal structure of [Yb(L(NO3)2(H2O)2](NO3), L = bromo-N,N,N′,N′-tetraethylmalonamide (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 455-458 
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    ISSN: 1572-8854
    Keywords: Ytterbium ; malonamide ; crystal structure ; extraction
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract [Yb(L(NO3)2(H2O)2](NO3), L = bromo-N,N,N′,N′-tetraethylmalonamide crystallizes in the triclinic spacegroup P-1 with cell dimensions a = 9.030(9), b = 12.036(12), c = 12.392(13) Å, α = 84.52(1), β = 77.58(1), γ = 67.21(1)° , dcalc = 1.935 g cm-3 for Z = 2. The ytterbium atom in the complex cation is nine-coordinate being bonded to two oxygen atoms from the malonamide ligand, two nitrate anions, and three water molecules.
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    N-Arylmaleimide derivatives (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 563-571 
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    ISSN: 1572-8854
    Keywords: Maleimide ; crystal structure ; photopolymerization ; monomer ; conformation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Nine phenyl substituted N-phenylmaleimide monomers for photopolymerization studies have been characterized by x-ray crystallography. Structures for N-(2′-t-butylphenyl)maleimide (1), P21/n, a = 10.197(3) Å, b = 11.904(4) Å, c = 10.496(5) Å, β = 100.61(3)° N-(2′-trifluoromethylphenyl)maleimide (2), P21/c, a = 11.763(8) Å, b = 10.699(9) Å, c = 8.284(5) Å, β = 90.02(5)° N-(2′,6′-diisopropylphenyl)maleimide hemibenzene solvate (3), Pc, a = 16.747(6) Å, b = 8.552(3) Å, c = 12.899(4) Å, β = 105.08(3)° N-(2′,6′-diisopropylphenyl) maleimide (unsolvated) (4), C2/c, a = 28.146(10) Å, b = 8.434(4) Å, c = 12.881(4) Å, β = 92.20(4)° N-(2′-bromo-3′,5′-bis(trifluoromethyl)phenyl) maleimide (5), P21/n, a = 8.7115(16) Å, b = 16.125(3) Å, c = 9.6707(19) Å, β = 99.757(15)° N-(2′-phenylphenyl)maleimide (6), P21/n, a = 8.519(4) Å, b = 13.742(5) Å, c = 11.147(4) Å, β = 92.25(3)° N-(4′-methoxyphenyl)maleimide (7), P21/n, a = 9.320(3) Å, b = 6.621(2) Å, c = 16.059(6) Å, β = 99.58(3)° N-(2′-trifluoromethylphenyl)-2-methylmaleimide (8), Fdd2, a = 43.362(12) Å, b = 8.202(2) Å, c = 12.720(4) Å and N-(2′-trifluoromethylphenyl)-2-methanosuccinimide (9), Cc, a = 7.708(2) Å, b = 22.191(9) Å, c = 7.137(2) Å, β = 115.76(2)° are described. Molecules with bulky 2′-substituents show larger rotations between the mean phenyl and maleimide ring planes, and varying degrees of distortion to the imide group.
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    Fundamental Study on Near-Axis Scattered Light and Its Application to Optical Computed Tomography (2000)
    Springer
    Optical review 7 (2000), S. 383-388 
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    ISSN: 1349-9432
    Keywords: near-axis scattered light ; optical computed tomography ; time-resolved measurement ; scattering ; diffusion ; random media ; visibility ; photon migration ; computed tomography ; biomedical optics
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract To find a basic principle of optical computed tomography (optical CT), a fundamental study was conducted on the use of scattered light in diffuse random media. We call the scattered light that propagates along the optical axis of the incident light beam near-axis scattered light (NASL). The use of NASL for the imaging through a diffuse medium was proposed and its basic characteristics were analyzed. The existence and measurability of NASL were confirmed in the simulation and measurement. To detect NASL efficiently, a technique called the scattering angle differential technique was developed. In CT imaging with a model phantom, the feasibility and effectiveness of the proposed technique were verified. We found that this technique alone was not sufficient to obtain the cross sectional image of an animal body, therefore a technique called the contact technique was devised to overcome the problems of reflection and refraction at the air-tissue interface. Finally, a prototype system was developed which integrated all the proposed techniques. With this system, we could obtain the CT images of a living mouse, in which the blood-rich organs such as liver and kidneys were clearly recognizable.
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    The Rectangular Isotherm Model for Adsorption Kinetics (2000)
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    Adsorption 6 (2000), S. 287-291 
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    ISSN: 1572-8757
    Keywords: diffusion ; shrinking core ; rectangular isotherm
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Physics , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Abstract The transient uptake response of an adsorbent particle, subjected to a step change in surface concentration, is considered. It is shown that, when the isotherm is highly favorable, the theoretical curves derived for a Langmuirian system reduce asymptotically to the much simpler form for a rectangular isotherm. The simple rectangular model provides a useful approximation even when the form of the actual isotherm is quite far from the rectangular limit.
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    Film Model Approximation for Multicomponent Adsorption (2000)
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    Adsorption 6 (2000), S. 5-13 
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    ISSN: 1572-8757
    Keywords: multicomponent adsorption ; diffusion ; Maxwell-Stefan model ; linear driving force approximation ; Langmuir isotherm
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Physics , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Abstract An approximate rate equation based on a film-model representation of diffusional mass transfer is developed to describe the kinetics of multicomponent adsorption. The model describes mass transfer as a pseudo-steady state diffusion process through a flat film of thickness equal to one fifth of the particle radius. Starting with an irreversible thermodynamics description of multicomponent diffusion, the flux relationships are integrated across the film yielding analytical expressions for the rate of mass transfer in a multicomponent adsorption system, when adsorption equilibria are described by the extended Langmuir isotherm. The new approximate rate equation can be conveniently used in the numerical simulation of adsorption systems with concentration-dependent micropore or surface diffusivity, and describes the effects of diffusional flux coupling. Results of accuracy comparable with that obtained when using the classical linear-driving-force approximation for systems with constant diffusivities are obtained with this new rate equation for both batch and fixed-bed adsorption calculations. A generalization of the approach based on the Gibbs adsorption isotherm describes mass transfer rates in terms of the spreading-pressure gradient and provides an extension to other multicomponent isotherm forms.
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    URL: http://dx.doi.org/10.1023/A:1008927713530
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    Oxygen Configuration in the Superconductor (Hg0.7Mo0.3)Sr2(Ca1−xRx)Cu2Oz (R = Nd and Pr) (2000)
    Springer
    Journal of superconductivity 13 (2000), S. 111-119 
    Details
    ISSN: 1572-9605
    Keywords: superconductivity ; Hg-based cuprate ; Hg-1212 (Hg,Mo)Sr2(Ca,R)Cu2O z ; neutron diffraction ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Electrical Engineering, Measurement and Control Technology , Physics
    Notes: Abstract Two series of Hg-based oxides (Hg0.7Mo0.3)Sr2(Ca1−x R x )Cu2O z (R = Nd and Pr, 0.2 ≤ x ≤ 0.7) have been synthesized. Electrical-resistivity measurements show that these compounds are superconductors with maximum onset T c of 107 and 102 K for Nd- and Pr-containing samples, respectively. The neutron powder diffraction experiments on both as-prepared and O2-annealed samples of R = Nd revealed that the O(3) site at the HgOδ sheets are fully occupied and shifted towards the Hg/Mo site to form Mo–O bonds.
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    URL: http://dx.doi.org/10.1023/A:1007738528912
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    Effective Potential for the Reaction-Diffusion-Decay System (2000)
    Springer
    Journal of statistical physics 99 (2000), S. 903-941 
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    ISSN: 1572-9613
    Keywords: effective potential ; reaction ; diffusion ; decay
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract In previous work we have developed a general method for casting stochastic partial differential equations (SPDEs) into a functional integral formalism, and have derived the one-loop effective potential for these systems. In this paper we apply the same formalism to a specific field theory of considerable interest, the reaction-diffusion-decay system. When this field theory is subject to white noise we can calculate the one-loop effective potential (for arbitrary polynomial reaction kinetics) and show that it is one-loop ultraviolet renormalizable in 1, 2, and 3 space dimensions. For specific choices of interaction terms the one-loop renormalizability can be extended to higher dimensions. We also show how to include the effects of fluctuations in the study of pattern formation away from equilibrium, and conclude that noise affects the stability of the system in a way which is calculable.
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    Dynamic Light Scattering Measurement of Nanometer Particles in Liquids (2000)
    Springer
    Journal of nanoparticle research 2 (2000), S. 123-131 
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    ISSN: 1572-896X
    Keywords: nanoparticle ; characterization ; light scattering ; PCS ; interferometry ; diffusion ; polydispersivity
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics , Technology
    Notes: Abstract Dynamic light scattering (DLS) techniques for studying sizes and shapes of nanoparticles in liquids are reviewed. In photon correlation spectroscopy (PCS), the time fluctuations in the intensity of light scattered by the particle dispersion are monitored. For dilute dispersions of spherical nanoparticles, the decay rate of the time autocorrelation function of these intensity fluctuations is used to directly measure the particle translational diffusion coefficient, which is in turn related to the particle hydrodynamic radius. For a spherical particle, the hydrodynamic radius is essentially the same as the geometric particle radius (including any possible solvation layers). PCS is one of the most commonly used methods for measuring radii of submicron size particles in liquid dispersions. Depolarized Fabry-Perot interferometry (FPI) is a less common dynamic light scattering technique that is applicable to optically anisotropic nanoparticles. In FPI the frequency broadening of laser light scattered by the particles is analyzed. This broadening is proportional to the particle rotational diffusion coefficient, which is in turn related to the particle dimensions. The translational diffusion coefficient measured by PCS and the rotational diffusion coefficient measured by depolarized FPI may be combined to obtain the dimensions of non-spherical particles. DLS studies of liquid dispersions of nanometer-sized oligonucleotides in a water-based buffer are used as examples.
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    URL: http://dx.doi.org/10.1023/A:1010067107182
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    Large-Eddy Simulation Of Radiation Fog (2000)
    Springer
    Boundary layer meteorology 94 (2000), S. 461-493 
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    ISSN: 1573-1472
    Keywords: Radiation fog ; Large-eddy simulation ; Turbulence ; Kelvin–Helmholtz instability ; Convection ; Mixed layer
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract In order to study the three-dimensional structure of radiation fogand to obtain a basic understanding of its generation mechanism,a numerical experiment is performed with a large-eddysimulation model and compared with the observation at Cabauw in the Netherlands. After confirming that the results are insatisfactory agreement with the observations, the structure of thefog and its generation mechanism are examined in more detail. Before the fog forms, the atmosphere is stable and an inversionlayer exists almost adjacent to the ground surface. As the fog grows, however, the stratification is destabilized and a mixed layerdevelops gradually. The longwave radiative cooling near thefog top contributes to the destabilization more than thecondensational heating does. The evolution of the fog can be classified into three stagesaccording to the behaviour of turbulent kinetic energy (TKE):formation, development, and dissipation stages.The fog layer has different flow structures at each stage.During the formation stage, longitudinal rolls similar tostreaks in channel flows appear near the ground surface.The development stage is characterized by an initiation oftransverse bands due to Kelvin–Helmholtz instability anda sudden increase of TKE. During the dissipation stage, longitudinalrolls and polygonal cells due to convective instability are organized.
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    URL: http://dx.doi.org/10.1023/A:1002490423389
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    Probability Density Function Integrals And Small-Scale Mixing In Turbulent Plumes (2000)
    Springer
    Boundary layer meteorology 97 (2000), S. 219-249 
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    ISSN: 1573-1472
    Keywords: Conditional concentration statistics ; Mixing ; Scalar dissipation ; Turbulence
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract We analyse cross-wind-integrated statistics of theconcentration field of a conserved scalar for pointand line sources in grid turbulence. In particular,using wind-tunnel measurements we calculate thecross-wind integrated probability density function(pdf) for the scalar concentration. We then use thatquantity in the exact evolution equation for the pdfto calculate the cross-wind integrated mean of therate of dissipation of scalar variance, conditional onthe scalar concentration. Much of the variation ofthese statistics with distance downstream is accountedfor by scaling with concentration, length and timescales based on the development of the mean plume.This scaling thus suggests some simple practicalparameterisations of these statistics in terms ofmean-field quantities. One of the motivations for thiswork is to find a simple parameterisation for thescalar dissipation that can be used for modellingchemical reactions in plumes. We also consider the cross-wind integral of the firstfew moments of the concentration field and show thatthe integration greatly simplifies the budgets forthese moments. Thus the first moment is just thedownstream flux of the scalar, which is constant. Thesecond moment budget provides a check on the meandissipation estimated directly from the pdf evolutionequation.
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    Turbulence Characteristics Of The Stable Boundary Layer Over A Mid-Latitude Glacier. Part Ii: Pure Katabatic Forcing Conditions (2000)
    Springer
    Boundary layer meteorology 97 (2000), S. 73-107 
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    ISSN: 1573-1472
    Keywords: Katabatic flow ; Spectra ; Stable boundary layer ; Turbulence ; Waves
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Observations obtained over a glacier surface in a predominantlykatabatic flow and with a distinctwind maximum below 13-m height are presented. The data werecollected using a 13-m high profilemast and two sonic anemometers (at about 2.5-m and 10-m heights).The spectra at frequencies belowthat of the turbulence range appear to deviate considerably fromthe curves obtained by Kaimal andco-workers during the 1968 Kansas experiment. The characteristicsof these deviations are compared tothe observations of others in surface-layers disturbed by anykind of large-scale outer-layer (orinactive) turbulence. In our case the disturbances arelikely to be induced by the highmountain ridges that surround the glacier. Moreover, the deviationsobserved in the cospectra seemto result from an, as yet, unspecified interaction between theinactive outer-layer turbulenceand the local surface-layer turbulence. Near the distinctwind maximum turbulence production ceasedwhile turbulence itself did not, probably the result ofturbulence transport from other levels. Consequently, we studied thelocal similarity relations using σw instead of u* as an alternative velocity scale. Wellbelow the wind maximum, and for relatively low stability(0〈 Rig 〈0.2), the flow behaves accordingto well established local-scaling similarity relationshipsin the stable boundary layer. For higherstability (Rig 〉 0.2), and near or above the wind maximum, the boundary-layer structure conforms tothat of z-less stratification suggesting that the eddy sizeis restricted by the local stability ofthe flow. In line with this we observed that the sensibleheat fluxes relate remarkably well to thelocal flow parameters.
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    Numerical Study Of The Impact Of Coherent Structures On Vertical Transfers In The Atmospheric Boundary Layer (2000)
    Springer
    Boundary layer meteorology 97 (2000), S. 361-383 
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    ISSN: 1573-1472
    Keywords: Coherent structures ; Numerical modelling ; Turbulence
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract In two preceding papers, coherent structures of theatmospheric boundary layer (ABL), such as rollvortices or cells, were investigated through radar andaircraft observations collected during the TRAC-93(Turbulence Radar Aircraft Cells) experiment held inFrance in June 1993. The analysis of this experimentaldata set provided information on the spatialcharacteristics of these organisations (length scale,orientation, type ... ), their temporal and verticalevolution, and their relation with the dynamic andthermodynamic conditions of the ABL. For the thirdpaper in this series, a large eddy simulation model is used to examine the impact of thecoherent structures on the ABL vertical fluxes. Theanalysis of the simulated horizontal fields is madewith two-dimensional auto and cross-correlationsapplied on different pertinent ABL variables. Theresults emphasise a directional anisotropy of theseorganised fields throughout the ABL, much morepronounced in the heat flux fields, not only at thelength scale of organisations but also at theturbulence scales. This finding has an importantconsequence for traditional ABL flux measurementsbased on the hypothesis of isotropic and homogeneousturbulence. It can explain part of the underestimationof the surface fluxes often mentioned in theliterature. This approach makes it possible tomodify the concept of diffusion time (in chemicalmodelling) and could also lead to revised ABLparameterisations in Range Scale models.
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    URL: http://dx.doi.org/10.1023/A:1002641728075
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    The initial value problems of first order impulsive differential equations in Banach spaces (2000)
    Springer
    Applied mathematics and mechanics 21 (2000), S. 33-42 
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    ISSN: 1573-2754
    Keywords: Banach space ; first order impulsive differential ; measure of noncompactness ; minimax quasi-solution ; O175
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Mathematics , Physics
    Notes: Abstract In this paper, by using of monotone iterative technique, the existence and iterative approximation of the minimax quasi-solutions of the initial value problems for more general first order impulsive differential equations in Banach spaces are investigated.
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    URL: http://dx.doi.org/10.1007/BF02458537
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    Imperfect bifurcation of systems with slowly varying parameters and application to Duffing's equation (2000)
    Springer
    Applied mathematics and mechanics 21 (2000), S. 1024-1033 
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    ISSN: 1573-2754
    Keywords: time-dependent parametric system ; bifurcation transition ; imperfect bifurcation ; Duffing's equation ; O175 ; O315.3 ; O322
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Mathematics , Physics
    Notes: Abstract A new method was proposed for essentially studying the imperfect bifurcation problem of nonlinear systems with a slowly varying parameter. By establishing some theorems on the solution approximated by that of the linearized system, the delayed bifurcation transition and jump phenomena of the time-dependent equation were analyzed. V-function was used to predict the bifurcation transition value. Applying the new method to analyze the Duffing's equation, some new results about bifurcation as well as that about the sensitivity of the solutions with respect to initial values and parameters are obtained.
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    Fluxes of methane and carbon dioxide from a small productive lake to the atmosphere (2000)
    Springer
    Biogeochemistry 49 (2000), S. 1-19 
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    ISSN: 1573-515X
    Keywords: carbon dioxide ; diffusion ; ebullition ; emission ; freshwater ; hypertrophic lakes ; methane
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Geosciences
    Notes: Abstract The fluxes of CH4 and CO2 to the atmosphere, and the relative contributions of ebullition and molecular diffusion, were determined for a small hypertrophic freshwater lake (Priest Pot, UK) over the period May to October 1997. The average total flux of CH4 and CO2 (estimated from 7 sites on the lake) was approximately 52 mmol m−2 d−1 and was apportioned 12 and 40 mmol m−2 d−1 toCH4 and CO2 respectively. Diffusion across the air-water interface accounted for the loss of 0.4and 40 mmol m−2 d−1 of CH4 and CO2 respectively whilst the corresponding figures for ebullition losses were 12.0 (CH4) and 0.23 (CO2) mmol m−2 d−1. Most CH4 (96%) was lost by ebullition, and most CO2 (99%) by diffusive processes. The ebullition of gas, measured at weekly intervals along a transect of the lake, showed high spatial and temporal variation. The CH4 content of the trapped gas varied between 44 and 88% (by volume) and was highest at the deepest points. Pulses of gas ebullition were detected during periods of rapidly falling barometric pressure. Therelevance of the measurements to global estimates ofcarbon emission from freshwaters are discussed.
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    URL: http://dx.doi.org/10.1023/A:1006269900174
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    The Control Of Coherent Eddies In Vegetation Canopies: Streamwise Structure Spacing, Canopy Shear Scale And Atmospheric Stability (2000)
    Springer
    Boundary layer meteorology 94 (2000), S. 139-163 
    Details
    ISSN: 1573-1472
    Keywords: Turbulence ; Coherent eddies ; Plant canopy ; Plane mixing layer ; Canopy shear scale ; Atmospheric stability
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract An analogy has been established between a plane mixing layer and the atmospheric flow near the top of a vegetation canopy. It is based on a common feature, a strong inflection in the mean velocity profile, responsible for hydrodynamical instabilities that set the pattern for the coherent eddies and determine the turbulence length scales. In an earlier study, this analogy was tested using a small data set from thirteen experiments, all in near-neutral conditions. It provided a good prediction of the streamwise spacing Λw of the dominant canopy eddies (evaluated from time series of vertical velocity) that appears to depend on a shear length scale Ls = U(h)/U'(h), where h is canopy height, U is mean velocity and U' the vertical gradient dU/dz. The present analysis utilizes an extensive data set of approximately 700 thirty-minute runs, from six experiments on two forest sites and a maize crop, with a large range of stability conditions. Λw was estimated for each run using the wavelet transform as an objective, automated detection method. First, the variations of Λw and Ls with atmospheric stability are discussed. Neutral and unstable values exhibit a large scatter whereas in stable conditions both variables decrease with increasing stability. It is subsequently found that Λw is directly related to Ls, in a way close to the neutral prediction Λw /h = 8.1Ls/h.The Strouhal number Str = Ls /Λw is then shown to vary with atmospheric stability, weakly in unstable conditions, more significantly in stable conditions. Altogether these results suggest that, to some extent, the plane mixing-layer analogy can be extended to non-neutral conditions. It is argued that the primary effect of atmospheric stability, at least in stable conditions, is to modify the shear length scale Ls through changes in U(h) and U'(h), which in turn determines the streamwise spacing of the active, coherent motions.
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    Wind Tunnel And Field Measurements Of Turbulent Flow In Forests. Part I: Uniformly Thinned Stands (2000)
    Springer
    Boundary layer meteorology 95 (2000), S. 457-495 
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    ISSN: 1573-1472
    Keywords: Field measurements ; Thinned forests ; Turbulence ; Wind tunnel
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Many forest management methods alterstand density uniformly. The effectsof such a change on the wind andturbulence regimes in the forest arecritical to a number of processes governingthe stability of the stand and itsmicroclimate. We measured wind speed andturbulence statistics with a Dantec tri-axialhot-film probe in model forests of variousdensities (31–333 trees m-2), created byremoving whole trees in a regular pattern in awind tunnel, and compared them with similarmeasurements made with propeller anemometers insimilarly thinned plots (156–625 trees ha-1)within a Sitka spruce stand in Scotland. The results agree well, in general, with measurements made inother such studies with diverse canopy types.The systematic variations with density and verticalleaf-area distribution (which differed betweenwind-tunnel and field trees) in our work can explainmuch of the variability shown in scaled profiles ofbasic turbulence statistics reported in theliterature. The wind tunnel and field results are shown to be in good agreement overalldespite the difference in vertical leaf-areadistribution. Within-canopy and isolated-treedrag coefficients in the wind tunnel showthat tree-scale shelter effects increase astree density increases. The measurements indicatethat turbulence in the canopy is dominated bylarge-scale structures with dimensions of the sameorder as the height of the canopy as found inother studies but suggest that inter-tree spacing also modulates the size of these structures. These structures are associated with the sweeps that dominatemomentum exchange in the canopy and it is thisfact that allows the tri-axial probe to operate sowell despite the relatively narrow range of anglesin which the wind vector is correctly measured. Theratio of streamwise periodicity of these structuresto vorticity thickness varies systematically withtree density in the range 2.7–5.1, which spans theexpected range of 3.5–5 found in a laboratorymixing-layer, suggesting that tree spacing imposes another relevant length scale. This test andothers show that the results are in agreement withthe idea that canopy turbulence resembles that of a mixing layer even though they disagree with, and challenge the linear relationship between, streamwise periodicity andshear length scale presented recently in theliterature. The measurements are also in goodoverall agreement with simple drag models presented recently by other researchers.
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    A Wind-Tunnel Study of Airflow in Waving Wheat: An EOF Analysis of the Structure of the Large-Eddy Motion (2000)
    Springer
    Boundary layer meteorology 96 (2000), S. 211-255 
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    ISSN: 1573-1472
    Keywords: Canopy ; Characteristic eddy ; Empirical-orthogonal-function ; Shear flow ; Turbulence ; Wind tunnel
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract We have conducted an Empirical Orthogonal Functionanalysis (EOF) of a three dimensional, 2-pointvelocity covariance field, measured in a wind tunnel. The rate of convergence of the EOF sequence was usedas an objective test for the presence of distinctlarge turbulent structures. We found that in theroughness sublayer (2h 〉 z 〉 0) the sequence convergedmuch more rapidly than in the lower surface layer(6h 〉 z 〉 0), 75% of the total velocity variancebeing captured by the first three of 42 eigenmodes;h is the canopy height. The analysis was extended to three dimensions, whereover 50% of the variance and most of the spatialstructure of the covariance fields were captured by aneven smaller fraction of the total number ofeigenmodes. With some relatively weak additionalassumptions we were able to construct the velocityfield of a ‘characteristic eddy’ or large coherentstructure. This consisted of a pair ofcounter-rotating streamwise vortices centred above thecanopy. The sense of rotation of the vortex pair wasopposite to that found in the wall region of boundarylayers but matched that found in plane mixing layers. A strong gust or sweep motion generated between thevortices was responsible for most of the shear stresscarried by the large eddies. The region of significanttransport of streamwise momentum by the characteristiceddy is much smaller than the region of coherence of theeddy's velocity field.
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    Measurements Of Fine-Scale Structure At The Top Of Marine Stratocumulus (2000)
    Springer
    Boundary layer meteorology 97 (2000), S. 331-357 
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    ISSN: 1573-1472
    Keywords: Aircraft measurements ; Entrainment ; Stratocumulus ; Structure functions ; Turbulence
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract During the Dynamics and Chemistry of the MarineStratocumulus (DYCOMS) experiment in July–August 1985, the NCAR Electra aircraft flew a series of flight legs just at the top of the marinestratocumulus cloud decks that cap the mixed layer off the coast of southernCalifornia. Because of the corrugated structure of the cloud-top, the aircraft, which was flown at a nearly constant level and adjusted only to maintain its altitude at the average cloud-top height, was alternately within and above the clouds – roughly half the time in each domain. These legs were used to examine the structure of the cloud-top by compositing the segments on either side of the cloud/clear-air interface, which was identified by the transitions of liquid water measured by the Forward Scattering Spectrometer Probe (either increasing or decreasing) through a threshold of 0.04 × 10-3 kg m-3.An equivalent vertical distance (EVD) from the cloud-top was obtained from the horizontal flight legs by estimating the average slope of the cloud-top from the cloud-top radiation temperature. The results show that a near discontinuity occurs in variables across cloud top over an EVD of 0.3 m, but that above this, the air has already been modified by boundary-layer air. Thus, cloud-top is not the limit of mixing of boundary-layer air. This mixing may extend to tens of metres or more. The bulk Richardson number in the vicinity of cloud-top increases from near zero within the cloud to about 1.2 at an EVD of 3–6 m above cloud. Fluctuations of the three velocity components within cloud are nearly equal; above cloud the vertical component structure function is about half the horizontal components. The scalar structure functions are about an order of magnitude higher above cloud than in cloud. The structure parameters of temperature and humidity measured just below cloud-top agree reasonably well with predicted values based on a previously-developed model for the clear convective boundary layer. Above cloud, the scalar structure parameters are much larger, but their interpretation is questionable, since this region does notcontain isotropic turbulence.
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    Stochastic representation of nearly-Gaussian, nonlinear processes (1969)
    Springer
    Journal of statistical physics 1 (1969), S. 25-40 
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    ISSN: 1572-9613
    Keywords: Nonlinear Processes ; Stochastic ; Turbulence ; Wiener
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract The use of polynomial functionals of the white noise process is discussed for the treatment of nonlinear random processes. It is noted that such treatments are useful for nearly-Gaussian processes. Applications of such representations to nonlinear systems and to nonlinear fluid mechanics problems (turbulence) are reviewed.
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    Microscopic Chaos and Diffusion (2000)
    Springer
    Journal of statistical physics 101 (2000), S. 775-817 
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    ISSN: 1572-9613
    Keywords: chaos ; diffusion ; Ehrenfest wind-tree model ; Lorentz gas ; statistical mechanics ; periodic orbits ; Brownian motion ; billiards ; time series analysis
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract We investigate the connections between microscopic chaos, defined on a dynamical level and arising from collisions between molecules, and diffusion, characterized by a mean square displacement proportional to the time. We use a number of models involving a single particle moving in two dimensions and colliding with fixed scatterers. We find that a number of microscopically nonchaotic models exhibit diffusion, and that the standard methods of chaotic time series analysis are ill suited to the problem of distinguishing between chaotic and nonchaotic microscopic dynamics. However, we show that periodic orbits play an important role in our models, in that their different properties in our chaotic and nonchaotic models can be used to distinguish them at the level of time series analysis, and in systems with absorbing boundaries. Our findings are relevant to experiments aimed at verifying the existence of chaoticity and related dynamical properties on a microscopic level in diffusive systems.
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    On the Convergence of the Boltzmann Equation for Semiconductors Toward the Energy Transport Model (2000)
    Springer
    Journal of statistical physics 98 (2000), S. 835-870 
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    ISSN: 1572-9613
    Keywords: Boltzmann equation ; semiconductor ; diffusion ; energy transport model ; entropy dissipation rate
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract The diffusion limit of the Boltzmann equation of semiconductors is analyzed. The dominant collisions are the elastic collisions on one hand and the electron–electron collisions with the Pauli exclusion terms on the other hand. Under a nondegeneracy hypothesis on the distribution function, a lower bound of the entropy dissipation rate of the leading term of the Boltzmann kernel for semiconductors in terms of a distance to the space of Fermi–Dirac functions is proved. This estimate and a mean compactness lemma are used to prove the convergence of the solution of the Boltzmann equation to a solution of the energy transport model.
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    Synthesis, Structure, and Superconductivity of (La1.5Pb0.5−xSrx)CuOz (2000)
    Springer
    Journal of superconductivity 13 (2000), S. 121-128 
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    ISSN: 1572-9605
    Keywords: superconductivity ; crystal structure ; magnetization ; 214
    Source: Springer Online Journal Archives 1860-2000
    Topics: Electrical Engineering, Measurement and Control Technology , Physics
    Notes: Abstract The substitution of strontium for lead in the material (La1.5Pb0.5−x Sr x )CuO z , x = 0–0.15 has been carried out. A stable and reproducible single phased superconducting materials can be obtained inside an evacuated quartz tube. The X-ray diffraction pattern shows that the superconducting phase can be indexed on the basis of an orthorhombic symmetry (F mmm) for x = 0 and on the basis of tetragonal symmetry (I 4/mmm) for x 〉 0. The transition temperature T c increases as the strontium substitution parameter x increases. We observed the maximal T c around x = 0.15 with 38 K with fairly large Meissner volume fraction of 38% (FC).
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1007790512982
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    Transient Chaos and Critical States in Generalized Baker Maps (2000)
    Springer
    Journal of statistical physics 101 (2000), S. 107-124 
    Details
    ISSN: 1572-9613
    Keywords: transient chaos ; conditionally invariant measures ; natural measures ; critical state ; diffusion
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract Generalized multibaker maps are introduced to model dissipative systems which are spatially extended only in certain directions and escape of particles is allowed in other ones. Effects of nonlinearity are investigated by varying a control parameter. Emphasis is put on the appearance of the critical state representing the borderline of transient chaos, where anomalous behavior sets in. The investigations extend to the conditionally invariant and the related natural measures and to transient diffusion in normal and critical states as well. Permanent chaos is also considered as a special case.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1026459432086
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    Nonequilibrium Phase Transition in a Model of Diffusion, Aggregation, and Fragmentation (2000)
    Springer
    Journal of statistical physics 99 (2000), S. 1-29 
    Details
    ISSN: 1572-9613
    Keywords: diffusion ; aggregation ; phase transition ; nonequilibrium
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract We study the nonequilibrium phase transition in a model of aggregation of masses allowing for diffusion, aggregation on contact, and fragmentation. The model undergoes a dynamical phase transition in all dimensions. The steady-state mass distribution decays exponentially for large mass in one phase. In the other phase, the mass distribution decays as a power law accompanied, in addition, by the formation of an infinite aggregate. The model is solved exactly within a mean-field approximation which keeps track of the distribution of masses. In one dimension, by mapping to an equivalent lattice gas model, exact steady states are obtained in two extreme limits of the parameter space. Critical exponents and the phase diagram are obtained numerically in one dimension. We also study the time-dependent fluctuations in an equivalent interface model in (1+1) dimension and compute the roughness exponent χ and the dynamical exponent z analytically in some limits and numerically otherwise. Two new fixed points of interface fluctuations in (1+1) dimension are identified. We also generalize our model to include arbitrary fragmentation kernels and solve the steady states exactly for some special choices of these kernels via mappings to other solvable models of statistical mechanics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1018632005018
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    Thermophysical Properties of Tetramethylmethane and Tetramethylsilane Gas Calculated by Means of an Isotropic Temperature-Dependent Potential (2000)
    Springer
    International journal of thermophysics 21 (2000), S. 1439-1461 
    Details
    ISSN: 1572-9567
    Keywords: diffusion ; intermolecular potentials ; Raman and Rayleigh spectra ; second virial coefficients ; tetramethylmethane ; tetramethylsilane ; transport properties ; viscosity
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract An isotropic temperature-dependent potential (ITDP) is calculated for the description of binary interactions in gaseous tetramethylmethane, C(CH3)4, and tetramethylsilane, Si(CH3)4. The potential parameters of C(CH3)4 and Si(CH3)4 are determined by solving an inverse problem of minimization of the sum of weighted squared relative deviations between experimental and calculated pure gas viscosity (η), second (pVT)-virial coefficient (B), and second acoustic virial coefficient (β) data. At T=0 K they are obtained for C(CH3)4 and Si(CH3)4, respectively, as repulsive parameter n=28.02(12) and 20.79(11), equilibrium distance r m=5.7790(30)×10−10 and 5.9051(36)×10−10 m, potential well depth ε/k B=586.32(42) and 674.75(91) K, and the first excited-level enlargement δ=0.0141(3)×10−10 and 0.0188(3)×10−10 m. The influence of the temperature on the potential parameters r m(T) and ε(T) is implied in the temperature dependence of the effective excited-state enlargement, calculated via the vibrational partition function. The calculated complete sets of normal vibrational frequencies for C(CH3)4 and Si(CH3)4 are consistent with the available experimental data. In addition, good agreement is observed between the calculations and new Raman spectroscopic measurements on C(CH3)4. Tables for recommended thermophysical properties (B, η, and self-diffusion ρD) and effective potential parameters (r m and ε) of the two globular gases are given for the temperature range between 250 and 800 K.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1006706510540
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    Aeroelastic Wind Forces on Flexible Bridge Girders (2000)
    Springer
    Meccanica 35 (2000), S. 1-15 
    Details
    ISSN: 1572-9648
    Keywords: Wind ; Aeroelasticity ; Bridge ; Turbulence ; Mechanics of structures
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Abstract Non-stationary aeroelastic wind force processes on a streamlined bridge deck are modelled for use within computations in the range of statistically stationary girder oscillation and for the mathematical investigation of the limit of aeroelastic stability. Time Domain (TD) methods, as the direct integration on a finite-element (FE) model, are applied in structural analyses for taking into consideration both geometric and physical nonlinearities. The FE method requires a continuous form of the force model, which permits an arbitrary discretization in time. The present model is based on continuous step response functions of Wagner-type, taking advantage of modern advances of that theory. Special emphasis is put on the continuity and the existence of equivalent representations in time and frequency domains. A realistic wind load model must include measured force functions and effects from the wind turbulence. For that reason, the force functions are calibrated in wind tunnel tests on section models in grid turbulence and boundary layer flow. The aeroelastic in-phase and out-of-phase forces are identified from highly accurate calibrations experiments on section models up to high frequencies which permits to decrease the time step increment. Turbulence effects on the aeroelastic coefficients are included in mean terms.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1004729423318
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    An analogue rotated vector field of polynomial system (2000)
    Springer
    Applied mathematics and mechanics 21 (2000), S. 597-602 
    Details
    ISSN: 1573-2754
    Keywords: polynomial system ; analogue vector field ; limit cycle ; Poincaré bifurcation ; O175
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Mathematics , Physics
    Notes: Abstract A class of polynomial system was structured, which depends on a parameter δ. When δ monotonous changes, more than one neighbouring limit cycles located in the vector fiel of this polynomial system can expand (or reduce) together with the δ. But the expansion (or reduction) of these limit cycles is not surely monotonous. This vector field is like the rotated vector field. So these limit cycles of the polynomial system are called to constitute an “analogue rotated vector field” with δ. They may become an effective tool to study the bifurcation of multiple limit cycle or fine separatrix cycle.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02459043
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    Similarity reductions for 2+1-dimensional variable coefficient generalized kadomtsev-petviashvili equation (2000)
    Springer
    Applied mathematics and mechanics 21 (2000), S. 645-650 
    Details
    ISSN: 1573-2754
    Keywords: variable coefficient ; generalized Kadomtsev-Petviashvili equation ; direct reduction method ; similarity reduction ; O175
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Mathematics , Physics
    Notes: Abstract With the aid of MATHEMATICA, the direct reduction method was extended and applied in 2+1-dimensional variable coefficient generalized Kadomtsev-Petviashvili equation (VCGKPE). As a result, several kinds of similarity reductions for VCGKPE are obtained which contain Painleve 1, Painleve II and Painleve IV reductions.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02460183
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    Two types of traveling wave solutions to burgers-KdV equations (2000)
    Springer
    Applied mathematics and mechanics 21 (2000), S. 1119-1122 
    Details
    ISSN: 1573-2754
    Keywords: Burgers-KdV equation ; traveling wave solution ; Riccati equation ; O175
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Mathematics , Physics
    Notes: Abstract Two types of exact traveling wave solutions to Burgers-KdV equation by basis on work of XIONG Shu-lin are presented. Furthermore, some new results are replenished in work of FAN En-gui et al.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02458988
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    The existence of periodic solutions for nonlinear systems of first-order differential equations at resonance (2000)
    Springer
    Applied mathematics and mechanics 21 (2000), S. 1282-1291 
    Details
    ISSN: 1573-2754
    Keywords: first-order differential equation ; periodic solution ; resonance ; Brouwer degree ; coincidence degree ; Duffing equation ; O175
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Mathematics , Physics
    Notes: Abstract The nonlinear system of first-order differential equations with a deviating argument $$\dot x(t) = Bx(t) + F(x(t - \tau )) + p(t)$$ is considered, where x(t)εR 2, τεR, BεR 2×2, F is bounded and p(t) is continuous and 2π-periodic. Some sufficient conditions for the existence of 2π-periodic solutions of the above equation, in a resonance case, by using the Brouwer degree theory and a continuation theorem based on Mawhin's coincidence degree are obtained. Some applications of the main results to Duffing's equations are also given.
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    URL: http://dx.doi.org/10.1007/BF02459250
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    Blow-up of the solutions for the initialboundary problems of the nonlinear Schrödinger equations (2000)
    Springer
    Applied mathematics and mechanics 21 (2000), S. 1338-1340 
    Details
    ISSN: 1573-2754
    Keywords: nonlinear Schrödinger equation ; eigenvalue ; eigenfunction ; blow-up ; O175
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Mathematics , Physics
    Notes: Abstract The conditions of blow-up of the solutions for one class of nonlinear Schrödinger equations by using the eigenvalue and eigenfunction of the Laplace operator are got, which complements and perfects the results of ZHANG jian.
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    URL: http://dx.doi.org/10.1007/BF02459257
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    Multi-solitary wave solutions for variant boussinesq equations and kupershmidt equations (2000)
    Springer
    Applied mathematics and mechanics 21 (2000), S. 193-198 
    Details
    ISSN: 1573-2754
    Keywords: multi-solitary wave solutions ; balance method ; Boussinesq equation ; Kupershmidt equation ; O175
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Mathematics , Physics
    Notes: Abstract Using the homogeneous balance method introduced by Wang Mingliang, the multi— solitary wave solutions are obtained for the variant Boussinesq equation and Kupershmidt equation. The Wang's result is a special case of above results for the variant Boussinesq equation.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02458520
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    The existence of periodic solutions of impulsive differential equations of mixed type (2000)
    Springer
    Applied mathematics and mechanics 21 (2000), S. 291-296 
    Details
    ISSN: 1573-2754
    Keywords: mixed type ; impulsive differential equation ; periodic solution ; O175
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Mathematics , Physics
    Notes: Abstract The existence of periodic solutions for a class of impulsive differential equations of mixed type is studied by constructing periodic sequence solutions of difference equations.
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    URL: http://dx.doi.org/10.1007/BF02459007
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    Long-time behavior of transient solutions for cellular neural network systems (2000)
    Springer
    Applied mathematics and mechanics 21 (2000), S. 321-326 
    Details
    ISSN: 1573-2754
    Keywords: dynamic stability ; cellular neural network systems ; long-time behavior of transient solutions ; O175
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Mathematics , Physics
    Notes: Abstract By establishing concept on transient solutions of general nonlinear systems converging to its equilibrium set, long-time behavior of solutions for cellular neural network systems is studied. A stability condition in generalized sense is obtained. This result reported has an important guide to concrete neural network designs.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02459010
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    Periodic boundary value problems for first-order integro-differential equations of mixed type (2000)
    Springer
    Applied mathematics and mechanics 21 (2000), S. 363-370 
    Details
    ISSN: 1573-2754
    Keywords: generalized upper and lower solutions ; coincidence degree ; monotone iteration ; integro-differential equation of mixed type ; O175 ; O177
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Mathematics , Physics
    Notes: Abstract The existence of at least one solution and the existence of extreme solutions of periodic boundary value problems for first-order integro-differential equations of mixed type are studied, in the presence of generalized upper and lower solutions. The discussion is based on new comparison theorems and coincidence degree and monotone iterative methods.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02459016
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    On a new algorithm of constructing solitary wave solutions for systems of nonlinear evolution equations in mathematical physics (2000)
    Springer
    Applied mathematics and mechanics 21 (2000), S. 383-388 
    Details
    ISSN: 1573-2754
    Keywords: system of nonlinear evolution equations ; sine-cosine method ; Wu-elimination method ; solitary wave solution ; O175
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Mathematics , Physics
    Notes: Abstract According to the improved sine-cosine method and Wu-elimination method, a new algorithm to construct solitary wave solutions for systems of nonlinear evolution equations is put forward. The algorithm has some conclusions which are better than what the hyperbolic function method known does and simpler in use. With the aid of MATHEMATICA, the algorithm can be carried out in computer.
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    URL: http://dx.doi.org/10.1007/BF02463758
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    Investigations of grain boundaries in copper using emission Mössbauer spectroscopy (2000)
    Springer
    Hyperfine interactions 126 (2000), S. 215-218 
    Details
    ISSN: 1572-9540
    Keywords: emission Mössbauer spectroscopy ; grain boundary ; diffusion ; copper ; 57Co
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract Grain boundaries (GBs) in pure Cu specimens were studied by means of 57Fe emission Mössbauer spectroscopy. A spectrum component which can be ascribed to iron atoms at GBs is represented by the single line with isomer shift 0.67 ± 0.05 mm/s. It is interpreted as iron atoms at GB sites with expanded atomic volumes and highly symmetric distribution of surrounding atoms.
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    URL: http://dx.doi.org/10.1023/A:1012611006412
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    Implantation and diffusion of 73As in GaAs and GaP (2000)
    Springer
    Hyperfine interactions 129 (2000), S. 337-347 
    Details
    ISSN: 1572-9540
    Keywords: diffusion ; 73As ; GaAs ; GaP ; computer simulation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract Self-diffusion on the As sublattice in intrinsic GaAs and foreign-atom diffusion on the P sublattice in intrinsic GaP were investigated in a direct way by As tracer diffusion measurements using the radioisotope 73As. For this purpose 73As was implanted in both materials at the ISOLDE facility of CERN. Then diffusion annealings were performed followed by serial sectioning and counting of the radioactivity in each section. The resulting profiles were simulated within a computer model which accounts for the observed loss of tracer to the diffusion ambient. The so-obtained diffusion coefficients for As in GaAs and GaP are compared with existing diffusivities in these compounds.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1012641212173
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    The Kinetics of the Cd21Ni5 Intermetallic Growth under High Hydrostatic Pressure (2000)
    Springer
    Interface science 8 (2000), S. 77-84 
    Details
    ISSN: 1573-2746
    Keywords: intermetallic growth ; interfacial reaction ; diffusion ; high hydrostatic pressure ; activation volume
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Abstract The kinetics of growth of the Cd21Ni5 intermetallic phase in two-layer Cd-Ni samples has been studied at hydrostatic pressures 0.05–0.9 GPa and at temperatures 200–280°C. Arrhenius equations for both interdiffusion through the growing phase layer and the interfacial reaction have been obtained for different pressures. The activation volumes have been found to be 0.9V0 for interdiffusion and 1.6V0 for interfacial reaction, where V_0 ≈ 1.8 × 10-29m3 is the average volume per atom in the Cd21Ni5 lattice. Atomistic mechanisms of intermetallic growth are discussed.
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    URL: http://dx.doi.org/10.1023/A:1008739521785
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