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  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Journal of chemical crystallography 26 (1996), S. 677-681 
    ISSN: 1572-8854
    Keywords: Anthraquinone ; crystal structure ; intramolecular hindrance
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound crystallizes in the monoclinic space group, P21/c;a=12.938(1),b=11.041(1),c=19.285(2) Å, β=104.314(8)°,Z=4. Refinement based on 1660 unique observed reflections converged toR=0.054. The anthraquinone moiety is distorted due to intramolecular steric hindrance from the tosylate groups.
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  • 2
    ISSN: 1572-8854
    Keywords: Organoiron complex ; dinuclear complex ; crystal structure ; phosphonium ylid
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound crystallizes in the centrosymmetric monoclinic space group P21/n withZ=4. The cation consists of two (η5-C5h5)Fe(CO) units which are linked via a metal-metal bond (Fe(1)−Fe(2)=2.530(1) Å), a bridging carbonyl ligand (Fe(1)−C(4)=1.912(8) Å. Fe(2)−C(4)=1.940(9) Å) and a bridging phosphonium ylid ligand (Fe(1)−C(1)=1.991(6) Å, Fe(2)−C(1)=1.985(6) Å and C(1)−P(1)=1.781(6) Å).
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  • 3
    Electronic Resource
    Electronic Resource
    Springer
    Journal of chemical crystallography 26 (1996), S. 747-752 
    ISSN: 1572-8854
    Keywords: Phosphine oxide ; quaternary ammonium ; water-soluble phosphine ; crystal structure ; hydrogen bonding
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound crystallizes in the centrosymmetric triclinic space group $$P\bar 1$$ withZ=4. The crystallographic asymmetric unit contains two independent cations; interatomic distances within these include P=O=1.47(1) and 1.47(1) Å, P−C6H5=1.78(2)–1.81(1)Å and P−CH2CH2NMe3 +=1.80(1) and 1.81(1) Å. The phosphine oxide moiety is involved in intermolecular hydrogen bonding ()...H−C, with O...H≥2.42Å) and the iodide is involved in I...H−C contacts with I...H≥3.10Å.
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  • 4
    Electronic Resource
    Electronic Resource
    Springer
    Journal of chemical crystallography 26 (1996), S. 185-189 
    ISSN: 1572-8854
    Keywords: Solid-solid reaction ; inclusion compound ; p-toluidine ; cholic acid ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Cholic acid undergoes solid-solid reactions with some aromatic molecules to form inclusion compounds. Simple shaking of a mixture of powdered cholic acid andp-toluidine results in formation of the 1∶1 (host:guest) inclusion compound which has the same structure as that formed by conventional crystallization methods: monoclinic space groupP21 witha=13.577(4),b=8.078(2),c=14.182(6) Å, β=114.42(3)°,Z=2 andR 1=0.061 for 2680 unique reflections.
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  • 5
    ISSN: 1572-8854
    Keywords: Ruthenium(II) complex ; disordered structure ; crystal structure ; solvate ; triphenylphosphine ; bipyridyl
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The complexcis-[Ru{4,4′-(t-Bu)2bpy}2(PPh3)Cl+][ClO 4 − ·0.5(toluene)·0.5(MeCN), where 4,4′-(t-Bu)2bpy=4,4′-di(t-butyl)-2,2′-bipyridyl crystallizes with an ordered racemic mixture of the chiral cations in the centrosymmetric triclinic space group $$P\bar 1$$ (No. 2). The structure was refined toR=4.42% for those 6426 reflections with 20=5–50o and |F o|〉6σ(F). Ruthenium ligand distances are Ru−Cl=2.423(2)Å, Ru−PPh3=2.346(2)Å and Ru−N=2.056(4)–2.098(4)Å. Both the Ru(II)-containing cation and the perchlorate anion are ordered, but the toluene and acetonitrile exhibit an interesting type of scrambled disorder about the inversion center atx=1,y=1/2,z=0.
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  • 6
    ISSN: 1572-8862
    Keywords: Rhenium ; dirhenium complexes ; rhenium-rhenium multiple bonds ; isocyanide ligands ; carbonyl ligand ; structural isomers ; 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 monocarbonyl complex Re2Cl4(µ-dppm)2(CO) reacts with xylyl isocyanide in acetonitrile to afford the bioctahedral complex (CO)Cl2Re(µ-dppm)2 ReCl2(CNxyl), 2b. This is a different structural isomer from the edge-sharing bioctahedral complex Cl2Re(µ-Cl)(µ-dppm)2ReCl(CNxyl) or this same stoichiometry which A formed when acetone is be reaction solvent. The complex2b reacts with a further equivalent of xylNC in the presence of TlO3SCF3 in dichloromethane to form a red complex of composition [Re2Cl3(µ-dppm)2 (CO)(CNxyl)2]O3SCF3. 3, which has the open bioctahedral structure [(xylNC)2ClRe(µ-dppm)2ReCl2(CO)]O3SCF3. This is a third isomeric form of this dirhenium cation: the previously isolated green and yellow forms have edge-sharing bioctahedral structures. Crystal data for3 at 295 K: orthorhombic space group Pbca (No. 61) witha=22.654(5) Å,b=22.717(4) Å,c=27.324(4) A,V= 14061(7) Å3, andZ = 8. The structure was refined to R = 0.059 (R, = 0.134 ) for 14164 data. The Re-Re distance is 2.3833(8) Å.
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  • 7
    ISSN: 1572-8854
    Keywords: Ruthenium(II) ; bipyridyl ; phenyldi(o-tolyl)phosphine ; solvate ; hydrogen bonding ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The complexcis-[Ru(bpy)2{PPh(o-tolyl)2}Cl+][ClO4 −] crystallized from a solution in dichloromethane as the dichloromethane-water solvate. The structure was refined toR=4.5% for those 2433 reflections with |F o|〉6σ(|F o|). The octahedral Ru(II) cation is associated with metal-ligand distances as follows: Ru−Cl=2.434(3)Å, Ru-PPh(o-tol)2=2.382(2)Å, and Ru−N=2.037(7)–2.088(7)Å. The structure is stabilized by a hydrogen-bonded CH2Cl2...ClO4 −...H2O channel which incorporates adventitious water of crystallization.
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  • 8
    ISSN: 1572-8854
    Keywords: Silver ; stearate ; triphenylphosphine ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal and molecular structure of [bis-triphenylphosphine-silver(I) stearate], [((C6H5)3P)2Ag(O2C(CH2)16CH3)], has been determined by single crystal X-ray analysis: the space group is PT witha=12.021(4),b=13.916(5)1,c=14.678(5) Å, α=95.952(5), β=101.249(6), γ=93.259(5)°,V=2388(2) Å3, andD calc=1.293 g/cm3 forZ=2. The silver is four coordinate: the carboxylate symmetrically chelates the silver while the triphenylphosphine ligands occupy the third and fourth coordination sites. The strong bonding nature of the phosphine ligands, as indicated by the Ag−P bond lengths, 2.446(3) and 2.424(3) Å, dominates the coordination sphere of the silver and forces the initial carboxylate ligand to rearrange from bridging to chelating resulting in weaker Ag−O bonds, as indicated by the extended Ag−O bond lengths, 2.399(8) and 2.449(8) Å. Unlike the free acid, the long hydrocarbon chain is not linear, and exhibits disorder in the lattice. The structure of the title complex explains the dramatic shift in solubility properties compared to the starting phosphine free silver carboxylate.
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  • 9
    ISSN: 1572-8854
    Keywords: Ruthenium(II) complex ; organoruthenium compound ; bis(1,2-diphenylphosphino)ethane ligand ; ruthenium-nitro complex ; crystal structure ; cyclopentadienyl derivative ; methanol solvate
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title complex crystallizes in the centrosymmetric monoclinic space group C2/c (No. 15) withZ=8. The structure was refined toR=4.49% for those 2745 independent reflections with 2θ=5–50o and |F σ|〉6σ(F). Ruthenium-ligand distances are as follows: Ru-P=2.284(2) and 2.286(2) Å, Ru-NO2=2.049(6) Å and Ru-C(Cp)=2.210(10)-2.246(9) Å. Bond lengths within the nitro ligand are N(1)-O(1)=1.226(10) Å and N(1)-O(2)=1.244(10) Å. The methanol of solvation is ordered but is subject to large thermal vibrational motions.
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  • 10
    Electronic Resource
    Electronic Resource
    Springer
    Journal of chemical crystallography 26 (1996), S. 461-465 
    ISSN: 1572-8854
    Keywords: Molecular dynamics ; crystal structure ; TOT clathrate ; thiophene
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Tri-o-thymotide (TOT) forms a cage-type clathrate with the thiophene guest molecule in a host:guest ratio of 2∶1. This clathrate crystallizes in the trigonal system (space groupP3121). The unit cell, of dimensionsa=b=13.585(4),c=29.914(12)Å, contains 6 TOT and one thiophene molecule. The crystal structure, established by direct methods (R=0.053), indicates that the host cavity has an oblate-ellipsoid shape with a crystallographic twofold axis parallel to the largest dimension of the cage. The guest molecule within the cavity is disordered. Molecular dynamics simulations have been performed and indicate that the guest molecules have hindered molecular freedom around the shortest ellipsoid axis of the cavity, and may produce a dynamic disorder in the cage of the TOT clathrate.
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  • 11
    ISSN: 1572-8854
    Keywords: Ruthenium(II) complex ; tri-n-propylphosphine ; terpyridine ; ruthenium-nitro complex ; crystal structure ; disordered ligands
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The complexmer,trans-[Ru(NO2)(trpy)(PPr3) 2 + ][ClO 4 − ]crystallizes in the centrosymmetric orthorhombic space group Pnma withZ=4. Both the ruthenium(II) cation and the perchlorate ligand lie about crystallographic mirror planes. The nitro ligand is not coplanar with the Ru(trpy) moiety and suffers from two fold disorder about its Ru−N bond such that the two sets of oxygen atoms have symmetry-related sites above or below the crystallographic mirror plane. The n-propyl groups within the PPr3 ligands suffer from disorder of their C(α) and C(β) atoms but share common C(γ) sites. Ruthenium-ligand distances are: Ru−PPr3=2.398(2)Å, Ru−NO2=2.053(7) Å, Ru−N(trpy, outer)=2.078(6) and 2.092(6) Å and Ru−N(trpy, central) =1.965(6) Å.
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  • 12
    ISSN: 1572-8854
    Keywords: Chromium ; carbonyl ; arene ; acetal ; crystal structure ; conformation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The structures of the (benzene dialkylacetal)tricarbonyl chromium complexes [η6-C6H5-CH(OR)2]Cr(CO)6 (R=Me,1; Et,2), are reported. The compounds were examined as part of a study of the conformations of the tripodal tricarbonylchromium group. For [η6-C6H5-CH(OMe)2]Cr(CO)3,1, monoclinic,P21/c (# 14),a=15.235(1) Å,b=6.5304(5) Å,c=12.702 Å, β=103.197(1)o,Z=4. For [η6-C6H5-CH(OEt)2]Cr(CO)3,2, monoclinic,P21/c (# 14),a=9.859(3) Å,b=10.547(3) Å,c=15.138(3) Å, β=108.42(2)o,Z=4. The data show that the molecules adopt the expected “three-legged piano stool” structure. The carbonyl ligands in1 adopt an eclipsed arrangement with respect to the arene ring and its substituent, while those in2 are staggered. These conformations are consistent with the notion that the acetal substituent behaves largely as an electroneutral group, or at most as a weak electronic acceptor.
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  • 13
    Electronic Resource
    Electronic Resource
    Springer
    Journal of chemical crystallography 26 (1996), S. 389-392 
    ISSN: 1572-8854
    Keywords: p-Methoxyphenyltelluro ; x-ray diffraction ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract C23H18TeO,M r=437.97, $$P\bar 1$$ ,a=9.940(2),b=13.664(3),c=7.895(2) Å, α=80.60(1), β=69.71(2), γ=75.95(1)°,V=972.0(4) Å3,Z=2,R=0.041 for 2668 observed reflections. The Te−C bond distances are 2.109(5)Å and the C−Te−C angle is 96.0(2)°. The phenyl rings are planar to within experimental accuracy, making dihedral angles of 64.6(2), 65.3(2) and 31.1(3)°.
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  • 14
    Electronic Resource
    Electronic Resource
    Springer
    Journal of chemical crystallography 26 (1996), S. 403-406 
    ISSN: 1572-8854
    Keywords: Cyclotrithiazene ; arylaminophospine ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound (C6H5)2(OC4H8N)P=N−S3N3 crystallizes in the space group $$P\bar 1$$ with unit cell parametersa=9.3900(2),b=9.4747(1),c=11.3850(3) Å, α=95.73(4), β=96.85(6), γ=104.26(2)o, and Z=2. The tricoordinated sulfur of the cyclotrithiazene ring deviates from the mean plane of other skeletal atoms by 0.683(4) Å. The angle at this atom is the smallest in the ring and is enclosed by the longest S−N bonds observed in the ring.
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  • 15
    ISSN: 1572-8854
    Keywords: Copper(II) complex ; crystal structure ; coordination polymer ; betaine ; dicarboxylate ligand
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Three polymeric copper(II) complexes of a flexible double betaine, namely, [{Cu(L)Cl2(H2O)} n ]·2 n H2O (1), [{Cu(L)Br2(H2O)} n ]·2nH2O (2), and [{Cu(L)(H2O)4} n ](ClO4)2n ·2nH2O (3) [L=−O2CCH(Me3N+)CH2CH2CH(Me3N+CO2], have been prepared and characterized by singlecrystal X-ray analysis. Isomorphous complexes (1) and (2) crystallize in space groupC2/c (No. 15) witha=17.725(3),b=5.958(2),c=19.077(3) Å, β=110.70(1)o,V=1881.4(4) Å3, Z=4 anda=18.268(4),b=5.948(3),c=19.166(5) Å, β=109.08(2)o,V=1964.7(9) Å3, Z=4, respectively. Complex (3) belongs to space groupPĪ (No. 2) witha=6.203(1),b=9.293(2),c=12.035(2) Å, α=86.56(2), β=87.33(3), γ=71.23(2)o,V=655.4(2) Å3 and Z=1. The crystal structure of (1) and (2) features an infinite zigzag chain composed of an alternate arrangement of metal atoms and double betaines ligands, with each Cu(II) atom in a distorted CuX2O3 [X-Cl, Br] square-pyramidal geometry, and hydrogen bonding between adjacent chains leads to a layer structure concentrated the (200) family of planes. Complex (3) exhibits a layer structure corresponding to the (001) family of planes, in which neighboring chains constructed from the metal atoms and the double betaine ligands are cross-linked by hydrogen bonding between the aqua ligands. The Cu(II) atom is coordinated in a CuO6 octahedral geometry with Jahn-Teller distortion.
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  • 16
    Electronic Resource
    Electronic Resource
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    Journal of chemical crystallography 26 (1996), S. 503-508 
    ISSN: 1572-8854
    Keywords: Tin(IV) sodium(I) complex ; ethylenediaminetetraacetic acid ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract NaSn(OH)(edta)(H2O) is monoclinic, space groupP21/c, witha=9.747(3)Å,b=9.121(3)Å,c=16.430(6)Å, β=98.69(4)°, Å3, andZ=4. The coordination environment of Sn(IV) is a capped octahedron. Sn−O distances range from 1.990(6)Å to 2.351(7)Å. Na(I) is five coordinated to three different edta molecules. Na−O distances range from 2.283(9)Å to 2.414(7)Å. The edta ligand presents the E, G/R conformation. The crystal structure is composed of sheets parallel to (001): inside a sheet Sn(OH)(edta) molecules are connected to each other by the Na(I) interactions.
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  • 17
    Electronic Resource
    Electronic Resource
    Springer
    Journal of chemical crystallography 26 (1996), S. 515-518 
    ISSN: 1572-8854
    Keywords: Antiarrhythmic agent ; crystal structure ; absolute configuration
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound crystallizes in the orthorhombic space groupP212121, withZ=4,a=4.770(1)Å,b=6.620(1)Å,c=37.550(7)Å,R=0.04. The most important factors affecting conformation of the molecules are: the protonation state of the N(9) atom andortho-substitution of the benzene ring in the acetanilide system. Protonation promotes an extended form of the molecule and 2,6-substitution forces a twist of at least 60° between the benzene ring and amide group planes. The resulting separation of lipophilic (xylidine) and amine groups, being two important pharmacophores, equals about 5Å in tocainide and all other structures comprising the amino-2,6-dimethylacetanilide system.
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  • 18
    Electronic Resource
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    Journal of chemical crystallography 26 (1996), S. 553-557 
    ISSN: 1572-8854
    Keywords: Silver(I) complex ; synthesis ; crystal structure ; spectroscopic properties
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The reaction of [Ph3PAgI]4 with sodium phenylacetate in MeOH and CH2Cl2 at room temperature gave rise to a binuclear silver complex with triphenylphosphine and phenylacetate mixed ligands, [Ph3PAg(O2CCH2Ph)]2. The crystal and molecular structure of the complex has been determined by single crystal X-ray diffraction analysis. The space group is $$P\bar 1$$ witha=9.198(2),b=9.516(2),c=13.842(3) Å, α=102.00(3), β=108.34(3), γ=93.58(3)°,Z=1, andDc=1.506 g cm−3. The silver atoms are each coordinated by one phosphorus atom from triphenylphosphine and two oxygen atoms from the carboxylate groups in a T-shape. The complex is further characterized by its IR,1H, and31P NMR spectra.
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  • 19
    ISSN: 1572-8854
    Keywords: Ruthenium(II) complex ; tri-n-propylphosphine ; bipyridyl ; crystal structure ; disorder
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The complexcis-[Ru(bpy)2(PPr3)Cl+][ClO 4 − ] · 0.5 (toluene) crystallizes as a racemate in the monoclinic space group P21/n. Both the PPr3 ligand and the toluene of crystallization are subject to disorder. Ruthenium—ligand distances are: Ru−PPr3=2.348(2) Å, Ru−Cl=2.426(2) Å and Ru−N(bpy)=2.035(6)–2.112(5) Å.
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  • 20
    ISSN: 1572-8854
    Keywords: Ruthenium(II) complex ; terpyridine ; triphenylphosphine ; ruthenium-nitro complex ; crystal structure ; pseudo-lattice
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The complexmer,trans-[Ru(NO2)(trpy)(PPh3) 2 + ][PF 6 − ] crystallizes in the centrosymmetric monoclinic space groupP21/n withZ=4; the ruthenium atom lies close toy=1/4 and all data withh+l=2n+1 are systematically weak. The trpy ligand is not strictly planar, but has a “dish-like” geometry. The nitro ligand is rotated from the plane of the Ru(trpy) moiety, the N3Ru/NO2 interplanar angle being 32.5o. Ruthenium-ligand distances are: Ru−PPh3=2.418(4) Å and 2.429(4) Å, Ru−NO2=2.063(12) Å, Ru−N(trpy, outer)=2.100(12) Å and 2.116(12) Å and Ru−N(trpy, central)=2.004(11) Å.
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  • 21
    Electronic Resource
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    Journal of chemical crystallography 26 (1996), S. 661-665 
    ISSN: 1572-8854
    Keywords: N,N′-bis(2-hydroxyphenyl)butanediamide ; crystal structure ; hydrolysis product
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The structure of N,N′-bis(2-hydroxyphenyl)butanediamide has been determined. The molecule consists of two 2-hydroxyphenyl moieties which are attached (at the 2 position) to the two nitrogens of the butanediamide. The compound C16H16N2O4 crystallizes in the monoclinic space group P21/c witha=5.576(1),b=4.8853(6),c=25.397(6) Å and β=90.58(1)°.
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  • 22
    ISSN: 1572-8854
    Keywords: Organotin ; crystal structure ; flavone
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The 1∶1 adduct of chlorotriphenyltin with 2′,6′-dimethoxyflavone, (C35H29O4ClSn)Mr=667.78, crystallizes in the triclinic space groupP1 with the following data:a-9.094(2),b=12.369(3),c=14.674(3) Å, α=74.78(2), β=77.00(2), γ=73.06(3)°,V=1503.8(4) Å3,Z=2, Mo-Kα, μ=9, 8 cm−1,Dc=1.475 g cm−3, F(000)=676,T=293K. The structure was solved by direct-methods and has been refined to a finalR value (l〉3σ(I)) of 0.0301. The flavone coordinates to the tin atom through the carbonyl oxygen atom. The metal center exhibits a trigonal bipyramidal configuration with the three phenyl groups in equatorial positions.
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  • 23
    ISSN: 1572-8854
    Keywords: Betaine ; 4-dimethylaminopyridinioacetate ; hydrogen bonding ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystalline dihydrate and hydrochloride trihydrate of a new betaine, namely, L·2H2O (1) and [L2H]Cl·3H2O(2) (L=p-Me2NC5H4N+CH2CO2), have been synthesized and characterized by X-ray crystallography. Molecule L in compound1 [space groupPbcn, witha=15.732(3),b=7.894(2),c=18.304(4) Å, andZ=8] possesses approximateC s symmetry. The formation of hydrogen bonds by water molecules bridging neighboring carboxy oxygen atoms leads to an infinite two-dimensional network composed of a packing of two different kinds of 12-membered rings. In compound2 [space group PT witha=7.341(2),b=9.543(2),c=17.010(4) Å, α=82.43(2)°, δ=80.34(2)°, λ=74.05(2)°, andZ=2], the carboxylate groups of a pair of betaine molecules are bridged by a proton to form a dimeric cation L2H+ with a very strong asymmetric hydrogen bond of length 2.464(7) Å. The crystal structure features a hydrogen-bonded corrugated ribbon comprising an alternate arrangement of edge-sharing centrosymmetric (H2O)4(Cl−)2 and (H2O)4 rings running parallel to thea axis.
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  • 24
    ISSN: 1572-8854
    Keywords: Bidentate ligand ; crystal structure ; pyrazolyl group ; hydrogen bonding
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound lies on a site of C2 symmetry, with the two planar pyrazolyl moieties oriented at 86.1° to one another. The hydrogen atoms were located and refined.
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  • 25
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    Journal of chemical crystallography 26 (1996), S. 219-222 
    ISSN: 1572-8854
    Keywords: Steroid ; organometallic ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract 3α-Triphenylstannylcholest-5-ene (1) has been synthesised and its molecular structure has been determined by single crystal X-ray diffraction. Refinement in the triclinic space groupP1 witha=7.805(6),b=7.862(5),c=32.351(10)Å, α=90.87(8), β=94.77(8) and γ=101.15(4)o converged atR=0.063. One of the two crystallographically independent molecules in the unit cell has a patially disordered side chain. The bond lengths and valency angles about tin indicate some steric hindrance due to the proximity of one of the phenyl rings with the B ring of the steroid nucleus.
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  • 26
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    Journal of chemical crystallography 26 (1996), S. 841-846 
    ISSN: 1572-8854
    Keywords: Cu(II) resorcylidene aminoguanidine ; synthesis ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The tridentate Schiff base, β-resorcylidene aminoguanidine (RAG)1 was synthesized from 2,4-dihydroxybenzaldehyde and aminoguanidine and complexed with copper(II) to form a copper(II)-β-resorcylidene aminoguanidine (Cu-RAG)2 complex. X-ray diffraction analysis of compound2 (orthorhombic, Pnma,a=11.674(1);b=6.7198(7);c=17.836(2) Å) revealed a square-planar copper(II) cation with a tridentate·ligand bound through two nitrogen atoms (N1 and N3) of the aminoguanidine moiety and an oxygen (O1) of the monodeprotonated dihydroxybenzaldehyde function. The remaining coordination site was occupied by chloride and the structure was rigidly planar as demanded by the restrictions of the crystallographic space group. The unit cell contents exhibited an extended sheet-like structure constructed via hydrogen bonds both intermolecularly and involving two water molecules (O3 and O4) also restricted by the same mirror symmetry. The remaining water (O5) provided for interlayer hydrogen bonding.
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  • 27
    ISSN: 1572-8854
    Keywords: Pyrazolyl group ; crystal structure ; bidentate ligand ; hydrogen bonding
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound consists of two planar pyrazolyl fragments oriented at 73.0° to each other and linked to a common carbon atom. All hydrogen atoms were located unambiguously and their positions were refined.
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  • 28
    ISSN: 1572-8854
    Keywords: Ruthenium(II) complex ; bipyridyl ; diphenyl(o-tolyl)phosphine ; dichloromethane solvate ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The complexcis-[Ru(bpy)2 {PPh2(o-tol)}Cl][ClO4] crystallizes from dichloromethane as the sesqui-dichloromethane solvate. The complex crystallizes in the monoclinic space group P21/n with Z=4. The structure was refined toR=5.50% for those 2552 independent reflections with |F 0|〉6σ(|F 0|) The octahedral Ru(II) cation is associated with the following bond lengths: Ru-PPh2(o-tol)=2.360(3)Å. Ru−Cl=2.433(2)Å and Ru−N(bpy)=2.041(8)–2.095(8)Å. Both the perchlorate anion and the dichloromethane molecules of solvation exhibit large amplitudes of vibration. One dichloromethane molecule lies in a general position, the other lies about an inversion center and suffers from disorder.
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  • 29
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    Journal of chemical crystallography 26 (1996), S. 615-619 
    ISSN: 1572-8854
    Keywords: Disordered trifluoromethyl group ; quinoline ; crystal structure ; AM1 calculation ; mefloquine
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound crystallized in space groupPna21 with lattice constantsa=13.406(1),b=18.799 (4), andc=4.785(1). The molecule is essentially flat with only fluorine atoms, methylene hydrogen atoms, and the hydroxyl hydrogen atom out of the plane of the quinoline ring. Only one of the trifluoromethyl groups of the title compound is disordered following a pattern observed in other crystal structures. Quantum chemical calculations at the AM1 level are consistent with this phenomenon. Although the carbon atom of the fixed trifluoromethyl group is further from the quinoline nitrogen atom than the carbon atom of the disordered trifluoromethyl group, the fluorine atoms of the fixed trifluoromethyl group more closely approach the quinoline nitrogen atom by 0.3 Å if the C(8)−C(10) bond in the crystal structure is freely rotated.
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  • 30
    ISSN: 1572-8862
    Keywords: Niobium(III) ; edge-sharing bioctahedra ; di-p-tolylformamidinato ; thiomethoxide ; double-bond ; 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 NaEt3BH with Nb2(μ-SMe2)3Cl6 results in the transfer of a hydride ion to dimethylthioether with concomitant production of methane. Further reaction with potassium di-p-tolylformamidinate, KDTolF, yields Nb2(μ-SMe)2(μ-DTolF)2η2-DTolF:)2.2 toluene, 1. In the latter, two thiomethoxide ions and two DTolF groups bridge the trivalent niobium atoms. Each of the other two DTolF groups chelate a metal atom to give the molecule an edge-sharing bioctahedral structure, The niobium-niobium distance of 2.655(2) A is consistent with the presence of a double bond between the metal atoms.
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  • 31
    ISSN: 1432-0649
    Keywords: 42.80 ; 81.60 ; 42.55
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract The kinetics of cavitation and associated photo-mechanical effects induced by underwater pulsed-laser irradiation of solid targets has been studied experimentally and analyzed with theoretical methods. A xenon-chloride excimer laser of 150 ns pulse duration has been utilized to produce ablation and local photofragmentation of artificial samples of hard tissues at fluences of 12–24 J/cm2. The evolution of pressure wave and cavitation formations developing in the liquid from the target surface after laser irradiation has been observed with a time-resolved imaging technique employing a pump-probe laser arrangement. The analysis of experimental results has been performed by using the theoretical model of “point explosion” that has been successfully applied to fit the cavitation kinetics, providing also quantitative information on the energy transfer during photo-acoustic interactions.
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  • 32
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    Applied physics 63 (1996), S. 283-292 
    ISSN: 1432-0649
    Keywords: 07.65 ; 42.60 ; 42.80
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract Theoretical and experimental results for modulation absorption spectroscopy (with simultaneous amplitude and wavelength modulations) are given, with particular emphasis on the effects of pressure and modulation broadening. As expected, such broadening effects result in a loss of resolution of nearly overlapping lines, whether these are from one or more absorbing species. The effects of phase-sensitive detection at harmonics greater than the commonly used second are investigated. It is shown that when detection is performed at higher harmonics, one is able to counter the loss of resolution due to pressure and modulation broadening. Applications in measurements of congested spectra, and in the simultaneous measurement of more than one species, are discussed. Other general characteristics of signals obtained by using higher-harmonic detection are also discussed, together with corresponding applications.
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  • 33
    ISSN: 1432-0649
    Keywords: 7.65 ; 33.00 ; 42.60 ; 42.65 ; 42.80
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract A new widely tunable source in the infrared for use in high-resolution spectroscopy and trace-gas detection is described. This spectroscopic source is based on Difference Frequency Generation (DFG) in gallium selenide (GaSe) and is continuously tunable in the 8.8–15.0 μm wavelength region. Such a DFG source operates at room temperature which makes it a useful alternative to a lead-salt diode-laser- based detection system that requires cryogenic temperatures and numerous individual diode lasers.
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  • 34
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    Applied physics 63 (1996), S. 507-510 
    ISSN: 1432-0649
    Keywords: 07.60 ; 06.30 ; 42.80
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    Topics: Physics
    Notes: Abstract Realization of optical subharmonic generation enables us to devise various kinds of optical frequency counters. In contrast to the optical frequency measurement with a chain of servo-controlled oscillators, proposed optical frequency counters are composed of nonlinear optical components and amplifiers without using laser oscillators or frequency stabilization. It is possible to construct the proposed optical frequency counter by using available components of the present state-of-the-art in the visible and near-infrared region of the spectrum. Then a compact and universal frequency counter for optical oscillations will appear.
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  • 35
    ISSN: 1432-0649
    Keywords: 07.60 ; 42.80
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract A direct method of determining the mean diameter of particles executing Brownian motion is presented. The temporal coherence of the scattered field from submicroscopic particles illuminated by laser light is a function of both the integration time and the particle diameter. The temporal degree of coherence of the time-averaged scattered intensity decreases as the integration time increases. Statistical processing of the scattered photons leads to a method of particle sizing (average diameter), which circumvents the need for digital autocor-relation or power spectral estimation.
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  • 36
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    Applied physics 63 (1996), S. 12-19 
    ISSN: 1432-0649
    Keywords: 42.80 ; 42.10 ; 07.65
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract A novel concept for a liquid-core lightguide in cylindrical symmetry is presented. For a concrete 17 cm long device using water as a core and the transparent fluorinated polymer Teflon as a cladding layer, the coupling efficiency and guiding properties are investigated theoretically and compared with experimental results. The guide is found to exhibit low losses. A possible application of this type of guide is investigated by replacing the optical cell of a standard UV/VIS spectrometer by the cylindrical liquid-core waveguide. An increasing sensitivity for especially low concentrations of a polluting dye by a factor of about 15 is observed. Concentrations as low as a few parts per billion of the pollutant can be detected with a good signal-to-noise ratio.
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  • 37
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    Applied physics 63 (1996), S. 307-310 
    ISSN: 1432-0649
    Keywords: 7.60 ; 42.80
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract Shock Waves (SW) were produced in air by focusing the (0.25 J, 6 ns) second-harmonic (λ = 532 nm) Nd : YAG laser light into a stainless-steel cylindrical cell at a pressure from 200 to 760 Torr. The laser fluence at the focal point is 〉 5 GW/cm2. The spatial variation and consequently the time evolution of the radial propagation velocityU of the generated shock waves were measured via a simple optical system utilizing a HeNe laser beam triply intersecting the propagating shock wave at three successive positions. Using a reflector, we were able to probe the traveling SW in six consecutive positions during its round trip. Good agreement was obtained between the experimental results and the predictions of the point strong explosion theory. It is shown that this method is simple with a fairly good precision. It therefore appears to be useful for the determination of the SW dynamic parameters, namely its Mach number, the pressure at the SW front, the thickness of the compressed air layer and the energy consumed in producing this layer.
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  • 38
    ISSN: 1432-0649
    Keywords: 07.65 ; 42.60 ; 42.80
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract We discuss experimental and theoretical results which show that when wavelength-modulation spectroscopy is used to monitor concentration fluctuations of gaseous species, greater sensitivity may be obtained if one uses high-order detection. We also show that, depending on the ambient concentration being monitored, there are regions in which the commonly used second derivative would show a negligible variation of signal magnitude with concentration fluctuations, whereas measurement with a higher harmonic would result in a much improved signal. Theoretical results for the measurements of any transition that can be described by the Voigt profile are given. The technique discussed is illustrated by presenting the results of measurements of wavelength-modulation spectroscopy of lines in the oxygenA band. Different detection harmonic orders are suitable for different ambient concentrations, and a related criterion that helps in the determination of a suitable detection harmonic order is given.
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  • 39
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    Applied physics 62 (1996), S. 399-405 
    ISSN: 1432-0649
    Keywords: 42.40 ; 42.80
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract A novel method for measuring the three-dimensional spatial distribution of gratings in a volume holographic medium is described. In this method, the diffraction of a uniform probe light wave is measured as a function of the deviation (either in angle or wavelength) from the Bragg condition. The envelope function of the grating is obtained by solving the coupled wave equations inversely. Not only the amplitude but also the phase of the envelope function is obtained. This method allows for the depletion of the probe light wave in the hologram and is applicable to both dielectric (refractive index) and absorption gratings. The resolution and the maximum measurable depth in this method are discussed.
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  • 40
    ISSN: 1432-0649
    Keywords: 42.68.Ay ; 42.68.Ge ; 42.80
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract Based on Raman-shifted Nd:YAG or KrF laser, a method of three-wavelength Dual DIfferential Absorption Lidar (DIAL) for tropospheric ozone measurements is proposed. A theoretical analysis and numerical simulations of the measurement error have been performed. The results show that this method can reduce the error in ozone measurements caused by the aerosol layer in the troposphere by a factor of ten. The proposed method is also shown to be insensitive to aerosol optical properties, and therefore, one does not need to know the wavelength dependence of aerosol scattering. The dual-DIAL with 277.1, 291.8, 313.2 nm radiation based on a Raman-shifted KrF laser can be used both during day- and night-time. The dual-DIAL with 289.0, 299.1, 316.1 nm radiation based on Raman-shifted Nd:YAG laser can only be used during night-time.
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  • 41
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    Applied physics 62 (1996), S. 235-240 
    ISSN: 1432-0649
    Keywords: 42.80 ; 78.65 ; 81.60
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract Laser-induced transformations (optical and compositional) of amorphousMO x thin films are studied as a function of the oxygen content and the nature of theM element,M being either a semiconductor (Ge) or a semi-metal (Sb). A high optical contrast in reflectivity is always found associated to the first laser pulses, this process being unaffected by the presence of oxygen. Next pulses lead to a process which may involve optical changes depending on the environmental conditions. Whereas the former optical changes are most likely related to a structural process which is completed before oxidation starts, the latter ones occur when irradiating at high oxygen pressures (1.2 bar) and thus they are easily related to an oxidation process. At low oxygen pressures (close to the oxygen partial pressure in air), the films show a good compositional stability upon irradiation together with a high optical contrast.
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  • 42
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    Applied physics 63 (1996), S. 299-306 
    ISSN: 1432-0649
    Keywords: 42.55 ; 42.80 ; 82.70
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    Topics: Physics
    Notes: Abstract Laser-induced photoacoustic breakdown detection is applied for the determination of particles in aqueous dispersion. Polystyrene (latex), alumina and thoriasol particles of different sizes are investigated for demonstration. Laser pulses at 500 nm with 28 ns pulse width (FWHM), generated by an excimer (λ = 308 nm) pumped dye laser, are focused into aqueous particle dispersions to produce breakdown. The dye laser pulse energy is fixed at a value lower than the breakdown threshold of pure water to initiate a dielectric breakdown only when particles are present in a given focus volume. Focus volume parameters and particle size dependent breakdown thresholds are calculated and the results are compared with data from literature. Dependence of breakdown threshold values on the chemical composition of the particles is determined for polystyrene, alumina and thoriasol particles.
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  • 43
    ISSN: 1432-0649
    Keywords: 42.80 ; 72.15 ; 78.65 ; 81.15
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract Ultrathin metal films consisting of regular two-dimensional arrays of 44–95 nm sized silver nanoparticles were fabricated by electron-beam lithography. By independent variation of particle shape and interparticle distance, respectively, the film's optical extinction maximum wavelength can be tuned in a range from 460 nm to 520 nm and the bandwidth between 50 and 100 nm. The results suggests the potential of lithographically designed nanoparticle films as thin layer material with tailorable optical properties for applications in microoptics and optoelectronics.
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  • 44
    ISSN: 1432-0649
    Keywords: 42.80 ; 42.55 M
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract Frequency coupling between the counter-propagating pulses inside a femtosecond ring laser gyroscope is studied. It is shown that frequency lock-in results from the counter-propagating pulses overlapping at or near a scattering surface. Nonetheless, the absence of lock-in with a scatterer at the pulse crossing point is demonstrated for the special case of symmetric scattering. The decoupling of the counter-propagating pulses makes possible the measurement of non-reciprocal phase differences of 10−5 and index differences of 10−10 over 1 cm. Besides measuring rotations, applications are found in the measurement of small changes in the index of refraction, and electrical transients on the 100 fs time scale.
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  • 45
    ISSN: 1432-0630
    Keywords: 42.80
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Abstract In Scanning Near-field Optical Microscopy (SNOM), the case, where the probe is represented by a small metallic sphere, is studied using a microscopic description of the interaction between the probe tip and the surface. A newly established integral expression for the polarizability of a mesoscopic metallic sphere is employed to investigate the conditions for obtaining configurational resonances and to calculate the resolution of the system near the resonance. Both the frequency of light and the probe size are found to be critical for observing the configurational resonances. The width of the resonance peak and the smallest object for which the resonance condition still can be fulfilled (aspects that are relevant to the resolution) are considered for various probe sizes. The influence of the fine structure in the polarizability of the metallic sphere on the resonance distance between two identical spheres is finally discussed.
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  • 46
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    Applied physics 63 (1996), S. 207-216 
    ISSN: 1432-0630
    Keywords: 42.80 ; 68.55 ; 78.65
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Abstract A silicon chip is covered by a monomolecular film of a fluorescence dye with silicon dioxide used as a spacer. The fluorescence depends on the distance of the dye from the silicon. The modulation of the intensity is described quantitatively by an optical theory which accounts for interference of the exciting light and of the emitted light. The effect is used to obtain a microscopic picture of the surface profile with a precision of a few Angströms. The perspectives for an application in wet systems such as neuron-silicon junctions and lipid membranes on silicon are pointed out.
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  • 47
    ISSN: 1432-0630
    Keywords: 78.65 ; 42.80
    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 X-ray luminescence efficiency of laboratory-prepared YVO4: Eu screens and their spectral compatibility to common optical detectors were studied under medical fluoroscopy conditions. YVO4: Eu screens were prepared by sedimentation and with different coating thickness. Luminescence efficiency of the YVO4: Eu screens was measured at various X-ray tube voltages (50–250 kVp) and for screens of different coating thicknesses (20–180 mg/cm2). Spectral response was also measured and spectral matching factors between the YVO4: Eu screens and some common optical detectors (photocathodes, photodiodes, photographic emulsion) were calculated. Experimental results on efficiency were fitted by formulas of the theoretical model developed by Hamaker and Ludwig in order to determine phosphor intrinsic X-ray-to-light conversion efficiency and intrinsic optical characteristics, such as coefficients related to light scattering and absorption. Although the luminescence efficiency of YVO4: Eu screens was found to be relatively low (3–11 μM s/mR m2), the matching factor of YVO4 : Eu screens with some red sensitive optical detectors was excellent, of the order of 0.96. High spectral compatibility may indicate that YVO4: Eu scintillators could be used in medical image detectors.
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  • 48
    ISSN: 1572-9605
    Keywords: Y0.4Pr0.6Ba2−xCaxCu3O7−δ ; superconductivity ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Electrical Engineering, Measurement and Control Technology , Physics
    Notes: Abstract Y0.4Pr0.6Ba2−xCaxCu3O7−δ polycrystalline samples were prepared and investigated. The Ca substitution led to a structural variation toward tetragonal symmetry, possibly due to the structural modification within the Cu(1)O layer. Superconductivity and metallic conduction were recovered whenx≥0.2, giving one more evidence for the existence of the ion-size effect at the Ba site.
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