Topological analysis of hydrogen bonding interactions involving C-H...O bonds

被引：34

作者：

Sosa, GL

Peruchena, N

Contreras, RH

Castro, EA

机构：

[1] NATL UNIV LA PLATA, FAC CIENCIAS EXACTAS, DEPT QUIM, CEQUINOR, RA-1900 LA PLATA, ARGENTINA

[2] UNIV BUENOS AIRES, FAC CIENCIAS EXACTAS & NAT, DEPT FIS, RA-1428 BUENOS AIRES, DF, ARGENTINA

[3] UNIV NACL NORDESTE, FAC CEINCIAS EXACTAS & NAT & AGRIMENSURA, CORRIENTES, ARGENTINA

来源：

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 1997年 / 401卷 / 1-2期

关键词：

hydrogen bonding; topological analysis;

D O I：

10.1016/S0166-1280(96)05032-4

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A topological analysis of two model systems in which different C-H...O hydrogen bonds exist is performed in order to characterize them. It is found that it is necessary to analyze the topological properties of the acceptor atom involved in the hydrogen bond since several parameters are qualitatively different in both complexes. This behaviour seems to suggest a way of identifying these bonds. (C) 1997 Elsevier Science B.V.

引用

页码：77 / 85

页数：9

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