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  • General Chemistry  (136)
  • Industrial Chemistry  (68)
  • Computational Chemistry and Molecular Modeling  (9)
  • Structure
  • 1995-1999  (150)
  • 1985-1989  (69)
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  • 1
    Electronic Resource
    Electronic Resource
    Synthesis of Hetaryl Glycosides and Their Glycosyl Donor Properties (1998)
    Weinheim : Wiley-Blackwell
    Liebigs Annalen 1998 (1998), S. 1353-1360 
    Details
    ISSN: 1434-193X
    Keywords: Heterocycles ; Substitution ; Carbohydrates ; Anomeric O-hetarylation ; Glycosylation ; Chemistry ; General Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Anomeric O-hetarylation of tetra-O-benzyl- and tetra-O-acetylglucose (1a, b) can be directly performed with electron-deficient heteroaromatic/heterocyclic systems 2-14, which contain imide halide moieties. The reactions were carried out in the presence of a base and led, through an exchange of the halide by the glucopyranosyloxy moiety, to the products 2a-14a, 7b-14b. Predominantly or exclusively β-products were obtained. Systems bearing more than one imide halide moiety, such as cyanuric fluoride (15) or 5-chloro-2,4,6-trifluoropyrimidine (16), can be employed for successive anomeric O-hetarylations. Investigation of the glycosyl donor properties of O-glucosyl heteroaromatic imidates with 6-O- and 4-O-unprotected glucose derivatives 18 and 19 as acceptors and comparison of the results obtained with data for the corresponding β-trichloroacetimidates 17aβ and 17bβ, reveals that 2,3,5,6-tetrafluoropyridin-4-yl glucopyranosides 14aβ and 14bβ exhibit similar properties. For specific tasks, for instance α-glucopyranoside formation, 14aβ may even be advantageous.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Kristall- und Molekülstruktur von Arsen-tris(trifluoracetat) (1996)
    Springer
    Monatshefte für Chemie 127 (1996), S. 1215-1220 
    Details
    ISSN: 1434-4475
    Keywords: Coordination of As(III) ; Structure ; Stereoisomeres
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Summary Arsenictris(trifluoroacetate) (1) crystallizes monoclinic in the space group Cc witha=1229.3,b=1697.9,c=1243.5 pm, β=110.01°, andZ=8. The trifluoroacetic acid ions acts as chelating ligands. Additionally they are bridging crystallographic independent molecules. As has a coordination number of 3+3(+2). The unit cell contains two sets of chirameres.
    Notes: Zusammenfassung Arsen-tris(trifluoracetat) (1) kristallisiert monoklin in der Raumgruppe Cc mita=1229.3,b=1697.9,c=1243.5 pm, β=110.01° undZ=8. Die Trifluoracetatanionen fungieren gegenüber As als zweizähnige Liganden und verknüpfen die beiden kristallographisch unabhängigen Moleküle zusätzlich intermolekular. As erreicht dadurch gegenüber O die Koordinationszahl 3+3(+2). Die Elementarzelle enthält zwei Sätze von chirameren Molekülen.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00807787
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  • 3
    Electronic Resource
    Electronic Resource
    Antimontribenzoat (1995)
    Springer
    Monatshefte für Chemie 126 (1995), S. 1045-1050 
    Details
    ISSN: 1434-4475
    Keywords: Coordination of Sb(III) ; Structure ; Enantiomers
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Summary The Δ isomer of (C6H5CO2)3Sb crystallizes rhombohedrally (hexagonal axes) in the space group R3 witha=1944.0 pm,c=422.3 pm, andZ=3. The molecules are stacked parallel to 001; Sb has a coordination number of 3+3 (Sb-O: 208 and 256 pm, resp.).
    Notes: Zusammenfassung Das Δ-Isomer des Antimontribenzoats kristallisiert rhomboedrisch (hexagonale Aufstellung) in der Raumgruppe R3 mita=1944.0 pm,c=422.3 pm undZ=3. Die Moleküle sind parallel zu 001 gestapelt. Sb hat gegenüber O die Koordinationszahl 3+3 (Sb-O: 208 bzw. 256 pm).
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00811375
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  • 4
    Electronic Resource
    Electronic Resource
    Zur Struktur zweier Arsen- und Antimontricarboxylate (1996)
    Springer
    Monatshefte für Chemie 127 (1996), S. 461-468 
    Details
    ISSN: 1434-4475
    Keywords: Coordination of As(III) and Sb(III) ; Structure ; Enantiomers
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Summary Arsen-tris(2,2-dimethylpropionate) (1) crystallizes monoclinic in the space group P21/n witha=926.2,b=2158.6,c=983.7 pm, β=94.92°, andZ=4. As has a coordination number of 3+3. Antimony tripropionate (2) crystallizes monoclinic in the space group P21/c witha=930.2,b=863.0,c=1575.2 pm, β=90.27, andZ=4. The molecules are bridged to chains; therefore, Sb reaches the coordination number 3+3 (+3).
    Notes: Zusammenfassung Arsen-tris(2,2-dimethylpropionat) (1) kristallisiert monoklin in der Raumgruppe P21/n mita=926.2,b=2158.6,c=983.7 pm, β=94.92° undZ=4. As hat gegenüber O die Koordinationszahl 3+3. Antimontripropionat (2) kristallisiert monoklin in der Raumgruppe P21/c mita=930.2,b=863.0,c=1575.2 pm, β=90.27 undZ=4. Die Moleküle sind intermolekular zu Ketten verknüpft, wodurch Sb die Koordinationszahl 3+3 (+3) erreicht.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00807070
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  • 5
    Electronic Resource
    Electronic Resource
    Measures of stochasticity for nonstationary initial preparations of coupled oscillators (1985)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 28 (1985), S. 109-134 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The contributions of different eigenstates of a nonlinearly coupled oscillator system to the expansion of a local wave packet are analyzed from an information theoretical point of view. Such a wave packet can be considered as a nonstationary vibrational state of an electronically excited manifold of a molecule after Franck-Condon type initial preparation. The distributions of these contributions are compared to their individual stochastic ideals using Ruch's concept of “mixing distances.” The stochastic ideals are constructed via a probability diffusion process between neighboring states of the original distributions, representing an initial preparation corresponding to a Hamiltonian with only irregular eigenstates. Gaussian minimum uncertainty wave packets as initial states in a two-dimensional nonlinear oscillator system with classically regular and chaotic energy ranges are studied numerically. It is found that distance measures, partly reflecting the “mixing distance” of a distribution from its stochastic ideal, show a large fluctuation in the classical regular energy range and a small fluctuation in the range where most of the classical trajectories move chaotically. This indicates that for this type of initial preparation process the actual location of the initial state in space plays the dominant role for the dynamics in the low-energy range while for wave packets starting near the dissociation energy of the model system this location becomes unimportant.
    Additional Material: 11 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560280109
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  • 6
    Electronic Resource
    Electronic Resource
    Kinetics of charge transfer at metal electrolyte interfaces: From classical to quantum statistics (1987)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 32 (1987), S. 245-249 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A survey of recent developments in the theory and experimental knowledge of charged interfaces is discussed in relation to the problem of electron transfer reactions. An attempt is made to reformulate the role of the solvent in bulk phase and at surfaces. Furthermore we discuss the effect of position-dependent tunneling on the reaction rate constant assuming simple distribution of the ions near the metallic interface.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560320727
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  • 7
    Electronic Resource
    Electronic Resource
    The application of simulated annealing to problems of molecular mechanics (1988)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 34 (1988), S. 611-617 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The results of applying the simulated annealing method to find the lowest energy structure of the decane molecule are analyzed. The algorithm is found to be both efficient and economical. Some preliminary results are presented for a molecule of biochemical interest, Met-enkephalin.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560340865
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  • 8
    Electronic Resource
    Electronic Resource
    Syntheses and Properties of S2-Bridged Benzidines (1998)
    Weinheim : Wiley-Blackwell
    Liebigs Annalen 1998 (1998), S. 2409-2416 
    Details
    ISSN: 1434-193X
    Keywords: Sulfur heterocycles ; Rearrangements ; Reductions ; Chemistry ; General Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The syntheses of 1,2-benzodithiino[5,4,3-cde][1,2]benzodithiin-2,7-diamine (1) and dithio-bridged benzidine 2 have been achieved. The starting material for the synthesis of 1 was 1,3-diiodo-5-nitrobenzene (15) which was transformed by conventional means into 1,2-bis[3,5-bis(ethylthio)phenyl]diazane (19). The benzidine rearrangement of 19 in the presence of HBF4 at -30 °C yielded 4,4′-diamino-2,2′,6,6′-tetraethylthiobiphenyl (20) in 50 % yield. Treatment of 20 with sodium in ammonia and work-up in the presence of air yielded 1. The latter compound could be reduced with LiAlH4 to the tetrathiol 20a. The starting material for the preparation of 2 was 3-chloro-1-iodo-5-nitrobenzene (23), a side product of the preparation of 15. It was transformed analogously to the preparation of 1 into 1,2-bis(3-ethylthiophenyl)diazane (28). The benzidine rearrangement of 28 in presence of HBF4 at -30 °C afforded 4,4′-diamino-2,2′-bis(ethylthio)biphenyl (29) in 49 % yield. Treatment of 29 with sodium in ammonia and work-up under aerobic conditions yielded 2. Quantitative reduction of 2 to the thiol 29a could be achieved with LiAlH4. The reversible electrochemical reduction of 1 on unmodified glassy carbon electrodes leads to a product to which the structure of 3 was assigned.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
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  • 9
    Electronic Resource
    Electronic Resource
    Polar and Steric Substituent Effects in 5-exo-trig Cyclizations of 1-Aryl-4-penten-1-oxyl Radicals (1999)
    Weinheim : Wiley-Blackwell
    Liebigs Annalen 1999 (1999), S. 523-523 
    Details
    ISSN: 1434-193X
    Keywords: Chemistry ; General Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: -By mistake wrong concentrations were given in the footnote of Table 1 and in the Discussion. Instead of c0 = 1.2 M read c0 = 0.12 M if 2-naphthalenethiol was used as hydrogen donor and instead of c0 = 1.8 M read c0 = 0.18 M if Bu3SnH was used to trap photoproducts. In Table 2 relative rate constants of radical 2d refer to radical 2e and vice versa as correctly stated in the Discussion. In the Experimental Section (Iodocyclization) read 2.25 g (8.86 mmol) of iodine instead of 2.25 g (1.10 mmol) of iodine.
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  • 10
    Electronic Resource
    Electronic Resource
    A Novel and Efficient Route towards α-GalNAc-Ser and α-GalNAc-Thr Building Blocks for Glycopeptide Synthesis (1999)
    Weinheim : Wiley-Blackwell
    Liebigs Annalen 1999 (1999), S. 1167-1171 
    Details
    ISSN: 1434-193X
    Keywords: Carbohydrates ; Glycals, nitro ; Michael additions ; Glycosylations ; Glycosides, galactosamine ; Reduction, nitro group ; Glycopeptides ; Chemistry ; General Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: -Michael addition of serine and threonine derivatives 4a-4c to 3,4,6-tri-O-benzyl-2-nitro-D-galactal (1) afforded the corresponding 2-deoxy-2-nitro-α-D-galactopyranosides 5a-5c in good yield and stereoselectivity. 2-deoxy-2-nitroglycosides 5a and 5b were reduced to the 2-acetamido compounds by platinized Raney nickel T4. Manipulation of the protecting groups afforded known N-Fmoc-O-(2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-α-D-galactopyranosyl)-L-serine (8a) and -threonine (8b), valuable building blocks for O-glycopeptide synthesis.
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