Wechselwirkungen in Kristallen. 96. Darstellung und Strukturen von Salzen [RnN⊕H…︁NRn][B⊖(C6H5)4] mit Prototyp‐Wasserstoffbrücken N⊕H…︁N
作者:
Hans Bock,
Thorsten Vaupel,
Holger Schödel,
期刊:
Journal für Praktische Chemie/Chemiker‐Zeitung
(WILEY Available online 1997)
卷期:
Volume 339,
issue 1
页码: 26-37
ISSN:0941-1216
年代: 1997
DOI:10.1002/prac.19973390105
出版商: WILEY‐VCH Verlag GmbH
数据来源: WILEY
摘要:
Interactions in Crystals. 96. Preparation and Structures of Salts [RnN⊕H…︁NRn][B⊖(C6H5)4] with Prototype Hydrogen Bridges N⊕H…︁NStraightforward crystallization of ammonium salts [RnN⊕H] X⊖added lithium tetraphenylborate, and amine RnN from acetone solution yields salts [RnN⊕H…︁NRn][B⊖(C6H5)4] with the (under the conditions) unprotonated anions and the cations with prototype hydrogen bridges N⊕H…︁N. The structures of both identically substituted RnN (methylamine, trimethylamine, quinuclidine, diazabicyclooctane, and pyridine) as well as two‐component cation species (quinuclidine…︁pyridine and diazabicyclooctane…︁pyridine) are reported and discussed. A Cambridge Structural Database search defines the area of charged N⊕H…︁N interactions which can be correlated with both pK BH +values and PM3 formation enthalpies. Additional information is provided by PM3 calculations based on the experimental structure coordinates. The charge distribution within the hydrogen bridges N⊕H…︁N varies considerably with the individual proton donors N+H and proton acceptors N: Positive charges are highest at protonated quinuclidine and diazabicycl
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