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  • 1
    Electronic Resource
    Electronic Resource
    Application of SCF-perturbation theory to hydrogen bonding in water dimers (1973)
    Springer
    Theoretical chemistry accounts 29 (1973), S. 305-311 
    Details
    ISSN: 1432-2234
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Zusammenfassung Die Anwendbarkeit von SCF-Störungstheorie und eines Variationsstörverfahrens, beide in semiempirischer Form (CNDO/2), wird an der Wasserstoffbrückenbindung im dimeren Wasser geprüft. Die Ergebnisse sind vergleichbar mit Variationsrechnungen. Eine Aufspaltung der Gesamtenergie in verschiedene Komponenten vermittelt einen Einblick in die Natur der Wasserstoffbrückenbindung.
    Notes: Abstract The usefulness of Self-consistent perturbation theory and of a variation perturbation treatment both in semiempirical form (CNDO/2) is tested by application to hydrogen bonding in water dimers. The results are comparable to variational calculations. A splitting of the total energy in various components provides insight into the nature of hydrogen bonding.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00532186
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    Design of a Three Component Crystal Based on the Cocrystal of Phenazine and 2,2′-Dihydroxybiphenyl (1999)
    Springer
    Structural chemistry 10 (1999), S. 429-431 
    Details
    ISSN: 1572-9001
    Keywords: Supramolecular Chemistry ; crystallization ; X-Ray crystal structures ; crystal engineering
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The preparation of a three component crystal of 2,2′-dihydroxybiphenyl (1), phenazine (2) and acridine (3) is described whose possible existence was produced from the structure of a 2:3 cocrystal of 2,2′-dihydroxybiphenyl (1) and phenazine (2). X-Ray structures of both crystals are reported. Inspection of the crystal lattice of the 2:3 cocrystal shows that one phenazine molecule forms one and the other two hydrogen bonds to hydroxygroups of the diol. The molecule forming only one hydrogen bond can be replaced successfully by acridine, a one-hydrogen bond acceptor.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1022427122156
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    Paper (German National Licenses)
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  • 3
    Electronic Resource
    Electronic Resource
    Crystal engineering: Supramolecular structures by cocrystallization ofMeso-1,2-diphenyl-1,2-ethanediol and bisimines, simple cases of molecular recognition (1995)
    Springer
    Structural chemistry 6 (1995), S. 391-396 
    Details
    ISSN: 1572-9001
    Keywords: Molecular recognition ; crystal engineering ; supramolecular chemistry
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The crystal structures of molecular complexes betweenmeso- 1,2-diphenyl-1,2-ethanediol and two bisimines (N,N′-(dibenzylidene)-ethylenediamine and glyoxylidene-bis(2,4-dimethyl-3-pentyl-amine) are reported at different temperatures. The structure-determining motif of the cocrystalline arrangement is one single O-H ⋯. N hydrogen bond resulting in infinite ladderlike polymers. The supramolecular structure is formed by recognition of fitting species: Thed- orl-isomers do not arrange in such structures.1H NMR experiments show that no prearrangements take place by forming complexes in solution.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02310181
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