Molecular force field for bromine pentafluoride
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Published:1968-07-15
Issue:14
Volume:46
Page:2393-2397
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ISSN:0008-4042
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Container-title:Canadian Journal of Chemistry
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language:en
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Short-container-title:Can. J. Chem.
Author:
Pillai M. G. Krishna,Pillai P. Parameswaran
Abstract
An attempt has been made to study the influence of lone pair electrons on the potential constants of BrF5 with a modified Urey–Bradley force field. It is found that the lone pair – bond pair repulsion is greater than the bond pair – bond pair repulsion. It is also concluded from a study of other molecules containing halogen atoms that the ratio of lone pair – bond pair interaction to bond pair – bond pair interaction is very nearly 1.23.
Publisher
Canadian Science Publishing
Subject
Organic Chemistry,General Chemistry,Catalysis
Cited by
4 articles.
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