STABILITY AND STRUCTURE OF THE 1-2 HYDROGEN-BONDED COMPLEX OF DIMETHYL ETHER AND HCL

被引：6

作者：

HINCHLIFFE, A

机构：

[1] Chemistry Department, UMIST, Sackville Street

来源：

ADVANCES IN MOLECULAR RELAXATION AND INTERACTION PROCESSES | 1979年 / 14卷 / 03期

关键词：

D O I：

10.1016/0378-4487(79)80006-0

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

SCF-MO calculations for the 1:2 hydrogen-bonded complex Me2O..(HCl)2 predict a structure where both HCl molecules are bonded to the oxygen in a roughly tetrahedral arrangement. Agreement between calculated and observed energy changes is very satisfactory. Population analysis is used to investigate the electron reorganization on complex formation. © 1979.

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页码：225 / 233

页数：9

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