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Conformational Analysis of Some Dichloroalkanes

 

作者: G.A. Crowder,  

 

期刊: Spectroscopy Letters  (Taylor Available online 1989)
卷期: Volume 22, issue 9  

页码: 1151-1160

 

ISSN:0038-7010

 

年代: 1989

 

DOI:10.1080/00387018908054012

 

出版商: Taylor & Francis Group

 

关键词: Dichloroalkanes;Conformational analysis Molecular mechanics calculations

 

数据来源: Taylor

 

摘要:

Molecular mechanics calculations were made for 1,1-dichlorobutane, 2,2-dichlorobutane, and 1,2-dichloro-2-methylpropane in order to compare the results with conclusions obtained from vibrational spectra concerning the conformational behavior of these compounds. Calculations were also made for 1,2-dichloro-2-methylbutane, although vibrational spectra are not available for this compound. The structures and relative energies of the most abundant conformers are given.

 

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