The IR and Raman spectra were all simulated at
WebMO.net using Gaussian.
Calculations generally took under 30 seconds of processing time so easily fit
into the allowed maximum limit. The line widths were set to 20 cm-1
and data exported as JCAMP-DX files in X,Y simple format. These were then
converted to DIFDUP compression form using JSpecView.
Jmol was used to read the downloaded "tar" and generate the XYZVib files.
Applications of Group Theory: Infrared and Raman Spectra of the Isomers of 1,2-Dichloroethylene
Norman C. Craig and Nanette N. Lacuesta,
Journal of Chemical Education, Vol. 81 No. 8 August 2004, p 1199
Educational Applications of IR and Raman Spectroscopy: A Comparison of Experiment and Theory
Brian L. McClain, Sara M. Clark, Ryan L. Gabriel, and Dor Ben-Amotz,
Journal of Chemical Education, Vol. 77 No. 5 May 2000, p 654
Vibration Spectra of cis and trans Dichloroethylene-d1
H.J. Bernstein and A.D.E. Pullin,
Canadian Journal of Chemistry, 30 1952, 963.
Copyright © 2015 by The Department of Chemistry, UWI, Jamaica,
all rights reserved.
Created and maintained by Prof. Robert J.
The Department of Chemistry, University of the West Indies,
Mona Campus, Kingston 7, Jamaica.
Created February 2012. Links checked and/or last
modified 20th February 2015.