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