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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