MOLECULAR STRUCTURE OF BIPHENYL IN GAS AND SOLID PHASES

被引：104
作者：
CASALONE, G
MARIANI, C
MUGNOLI, A
SIMONETTA, M
机构：
[1] Department of Chemistry, Milan
来源：
MOLECULAR PHYSICS | 1968年 / 15卷 / 04期
关键词：
D O I：
10.1080/00268976800101191
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：
‘Molecular mechanics’ has been used to calculate the geometry of biphenyl in the gas and crystalline phases. The geometry of the isolated molecule is mainly determined by a balance of π-electron and non-bonded energies, while in the crystal the most important forces are the intermolecular C … H attractions. Reasonable agreement is obtained with electron diffraction, x-ray and thermal data. © 1968 Taylor and Francis Group, LLC.
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页码：339 / +
页数：1
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