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.

引用

页码：339 / +

页数：1

共 31 条

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