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Resonance raman intensity analysis of polyatomic molecules

Biswas, N and Umapathy, S and Kalyanaraman, C and Sathyamurthy, N (1995) Resonance raman intensity analysis of polyatomic molecules. In: Proceedings Of The Indian Academy Of Sciences-Chemical Sciences, 107 (3). pp. 233-244.

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Abstract

A time-dependent quantum mechanical (TDQM) method of wavepacket propagation in computing resonance Raman intensities for polyatomic systems, has been developed and demonstrated by applying it tocis-stilbene andtrans-azobenzene. In the case of the former, Raman excitation profiles (REPs) for the various vibrational modes have also been computed. It is observed that the calculated absorption spectrum and the REPs compare very well with the experimental results. A comparison of these results with those of the often semiclassical approach reveals that the TDQM method can be used to study polyatomic systems with as much ease as the semiclassical wavepacket method.

Item Type: Journal Article
Additional Information: Copyright of this article belongs to Indian Academy of Sciences.
Keywords: Raman intensities;wavepacket theory;Raman excitation profiles stilbene;azobenzene.
Department/Centre: Division of Chemical Sciences > Inorganic & Physical Chemistry
Date Deposited: 21 Apr 2009 08:33
Last Modified: 19 Sep 2010 05:30
URI: http://eprints.iisc.ernet.in/id/eprint/19780

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