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Australian Journal of Chemistry Australian Journal of Chemistry Society
An international journal for chemical science
RESEARCH ARTICLE

Molecular force field for chlorine trifluoride

MG Krishna, K Ramaswamy and R Pichai

Australian Journal of Chemistry 18(3) 261 - 270
Published: 1965

Abstract

An attempt has been made to modify the UBFF for chlorine trifluoride by taking into account the presence of lone pairs of electrons, on the lines suggested by Pariseau, Wu, and Overend. It was found that the lone-pair-bond-pair interaction is less than the lone-pair-lone-pair interaction which is considerably lower than the stretching force constant for the lone pair of electrons. An approximate relation between the above interactions was obtained.

https://doi.org/10.1071/CH9650261

© CSIRO 1965

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