Chemistry 302 Spring 2000
Physical Chemistry II
Instructor: Arlen Viste
Normal modes of vibration
For an example with IR and Raman
spectra, including normal mode display
through clicking on spectral bands,
see the CCl4 page of
Deanna Donohoue
Example: S42+
Vibrational frequencies from Kazuo Nakamoto, Infrared and Raman Spectra of Inorganic and Coordination Compounds, 5th ed., Part A, John Wiley, New York, NY, 1997, p. 273, and references therein.
D4h point group orientation has C2' axes through
S atoms, as in the conventions summarized in J. A. Salthouse and M. J.
Ware, Point Group Character Tables and Related Data, Cambridge University
Press, 1972, p. 77, based on international recommendations in
J. Chem. Phys., 23, 1997 (1955). (A minor consequence is
the reversal of B1g and B2g normal mode designations
from the sketches shown in Nakamoto.)
Animations and illustrations with normal mode vectors are based on HyperChem 5 calculations (in AM1).
Conversion of HyperChem log file to *.XYZ files for animation in Chime, using program VibRead98 of Paul Lahti.
If you need to download Chime first, click here.
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B2u (inactive)
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B1g (371 cm-1, Raman)
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Eu (542 cm-1, IR)
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Eu (542 cm-1, IR)
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B2g (598 cm-1, Raman)
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A1g (584 cm-1, Raman)
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