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The molecular structure of biphenyl in the gas and solid phases

 

作者: G. Casalone,   C. Mariani,   A. Mugnoli,   M. Simonetta,  

 

期刊: Molecular Physics  （Taylor Available online 1968）
卷期: Volume 15, issue 4  

页码: 339-348

 

ISSN:0026-8976

 

年代: 1968

 

DOI:10.1080/00268976800101191

 

出版商: Taylor & Francis Group

 

数据来源: Taylor

 

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 ofπ-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.

 

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