Chlorine nuclear quadrupole coupling in chlorodifluoroacetyl chloride: Theory and experiment

Authors

G. S. Grubbs, University of North Texas
C. T. Dewberry, University of North Texas
A. King, University of North Texas
W. Lin, University of Texas at Brownsville and Texas Southmost College
W. C. Bailey, Kean University
S. A. Cooke, University of North Texas

Document Type

Article

Publication Date

10-1-2010

Abstract

A potential energy scan of chlorodifluoroacetyl chloride, CF2Cl-C(O)Cl, at the MP2/6-311+G(d) level of theory predicts stable gauche and trans conformers, with Egauche

Publication Title

Journal of Molecular Spectroscopy

First Page Number

127

Last Page Number

134

DOI

10.1016/j.jms.2010.07.001

Recommended Citation

Grubbs, G. S.; Dewberry, C. T.; King, A.; Lin, W.; Bailey, W. C.; and Cooke, S. A., "Chlorine nuclear quadrupole coupling in chlorodifluoroacetyl chloride: Theory and experiment" (2010). Kean Publications. 2325.
https://digitalcommons.kean.edu/keanpublications/2325