dichloroethylene isomers
A number of interpreted spectra are available for interactive Jmol/JSpecView display
(IR) (Z) cis-C2H2Cl2 --- (R) (Z) cis-C2H2Cl2 --- overlay the two --- split overlay
(IR)(E) trans-C2H2Cl2 --- (R) (E) trans-C2H2Cl2 --- overlay the two --- split overlay
(IR) 1,1-C2H2Cl2 --- (R) 1,1-C2H2Cl2 --- overlay the two --- split overlay
cis/trans overlay IR --- split overlay --- overlay Raman --- split overlay

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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.

The 1,1- and cis-1,2- isomers belong to the C2v point group while the trans-1,2-isomer belongs to the C2h point group.

Character table for C2v point group
E C2 (z) σv(xz) σv(yz) linear,
rotations		 quadratic
A1 1 1 1 1 z x2, y2, z2
A2 1 1 -1 -1 Rz xy
B1 1 -1 1 -1 x, Ry xz
B2 1 -1 -1 1 y, Rx yz
Character table for C2h point group
E C2 (z) i σh linear,
rotations		 quadratic
Ag 1 1 1 1 Rz x2, y2, z2, xy
Bg 1 -1 1 -1 Rx, Ry xz, yz
Au 1 1 -1 -1 z
Bu 1 -1 -1 1 x, y

References:
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. Lancashire,
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.
URL http://wwwchem.uwimona.edu.jm/spectra/jsmol/demos/DCE.html