pyrazine C4N2H4
A number of interpreted spectra are available for interactive Jmol/JSpecView display
(IR) --- (R) --- overlay the two --- 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.

pyrazine C4N2H4 belongs to the D2h point group.

Character table for D2h point group
E C2 (z) C2 (y) C2 (x) i σ (xy) σ (xz) σ (yz)
linear,
rotations
quadratic
Ag 1 1 1 1 1 1 1 1 x2, y2, z2
B1g 1 1 -1 -1 1 1 -1 -1 Rz xy
B2g 1 -1 1 -1 1 -1 1 -1 Ry xz
B3g 1 -1 -1 1 1 -1 -1 1 Rx yz
Au 1 1 1 1 -1 -1 -1 -1
B1u 1 1 -1 -1 -1 -1 1 1 z
B2u 1 -1 1 -1 -1 1 -1 1 y
B3u 1 -1 -1 1 -1 1 1 -1 x

Mode Symmetry Frequency (cm-1) IR Intensity Raman Intensity
24 AG 3273.1294 0 345.9312
23 B3U 3268.9481 28.0616 0
22 B2U 3251.754 7.072 0
21 B1G 3250.9838 0 147.3992
20 AG 1609.8611 0 28.9859
19 B2U 1540.4934 11.2707 0
18 B1G 1492.0664 0 6.964
17 B3U 1465.4849 38.5855 0
16 B1G 1251.3391 0 4.5762
15 AG 1241.235 0 7.6485
14 B3U 1125.9481 31.3704 0
13 AU 1119.4454 0 0
12 B3G 1102.3029 0 1.011
11 B2U 1085.5717 22.9056 0
10 B2G 1056.1017 0 2.3413
9 B2U 958.0074 27.4273 0
8 B1U 932.6357 42.1408 0
7 AG 870.1598 0 47.19
6 B3G 859.451 0 0.8159
5 B1G 713.785 0 7.924
4 AG 659.3377 0 3.5058
3 B1U 609.0589 28.8126 0
2 AU 517.9443 0 0
1 B3U -207.7883 39.3446 0
References:
J.D.Simmons and K.K.Innes,
Infrared and Raman spectra of pyrazine-h4 and -d4,
Journal of Molecular Spectroscopy, Volume 14, Issues 1-4, 1964, Pages 190-197,
doi.org/10.1016/0022-2852(64)90113-4

Vibrational spectra of [1H4]pyrazine and [2H4]pyrazine.
Arenas, J. F., Lopez-Navarrete, J. T., Otero, J. C., Marcos, J. I., & Cardenete, A. (1985).
Journal of the Chemical Society, Faraday Transactions 2, 81(3), 405.
doi.org/10.1039/f29858100405

Billes, F., Mikosch, H., & Holly, S. (1998).
A comparative study on the vibrational spectroscopy of pyridazine, pyrimidine and pyrazine.
Journal of Molecular Structure: THEOCHEM, 423(3), 225-234.
doi.org/10.1016/s0166-1280(97)00143-7

Michael Schmitt, Lars Biemann, W. Leo Meerts, and Karl Kleinermanns.
"Analysis of the FTIR Spectrum of Pyrazine Using Evolutionary Algorithms."
Journal of Molecular Spectroscopy 257, no. 1 (2009): 74-81.
doi.org/10.1016/J.JMS.2009.06.011.

Copyright © 2019 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 2019. Links checked and/or last modified 23rd February 2019.
URL http://wwwchem.uwimona.edu.jm/spectra/jsmol/demos/pyrazine.html