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Structural Aspects of Intermolecular Interactions

 

作者: JennyP. Glusker,  

 

期刊: Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals  (Taylor Available online 1992)
卷期: Volume 211, issue 1  

页码: 75-88

 

ISSN:1058-725X

 

年代: 1992

 

DOI:10.1080/10587259208025807

 

出版商: Taylor & Francis Group

 

关键词: intermolecular interactions;hydrogen bonding;metal ions;carboxylates;metal binding;fluorine

 

数据来源: Taylor

 

摘要:

The surroundings of functional groups in molecules within a crystal can be analyzed from data in crystallographic databases. A method is described here for preparing contoured maps of the probabilities of interactions of functional groups in various directions. The results of such analyses can provide probability plots of orientational preferences of binding which can be used for model building involving the interaction of two different molecular species. Examples chosen for description here include hydrogen bonding to oxygen-containing functional groups, the surrounding of C-F bonds and the manner by which carboxyl groups bind metal ions.

 

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