The conformations of 1,1,2,2-tetracyanoethane and 1,2-dichlorotetracyanoethane: a molecular orbital, dipole moment and kerr effect study

Yap-Seng Chong, H. H. Huang, David A. Winkler

Research output: Contribution to journalArticleOther

3 Citations (Scopus)

Abstract

The conformations of 1,1,2,2-tetracyanoethane and 1,2-dichlorotetracyanoethane are analysed in terms of their trans:gauche population distributions and the dihedral angle of the gauche rotamer using the semi-empirical MO program AMPAC. The results are compared with experimental information derived from dipole moment and Kerr effect measurements. 

Original languageEnglish
Pages (from-to)291-298
Number of pages8
JournalJournal of Molecular Structure
Volume172
Issue numberC
DOIs
Publication statusPublished - 1988
Externally publishedYes

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