Resonance Raman intensity analysis of polyatomic molecules

Biswas, N. ; Umapathy, S. ; Kalyanaraman, C. ; Sathyamurthy, N. (1995) Resonance Raman intensity analysis of polyatomic molecules Proceedings of the Indian Academy of Sciences - Chemical Sciences, 107 (3). pp. 233-244. ISSN 0253-4134

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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 to cis-stilbene and trans-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:Article
Source:Copyright of this article belongs to Indian Academy of Sciences.
Keywords:Raman Intensities; Wavepacket Theory; Raman Excitation Profiles; Stilbene; Azobenzene
ID Code:43940
Deposited On:17 Jun 2011 13:51
Last Modified:18 May 2016 00:45

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