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Wavepacket dynamical studies on trans-azobenzene: absorption spectrum and resonance Raman excitation profiles of the n??* transition

Biswas, N and Umapathy, S (1995) Wavepacket dynamical studies on trans-azobenzene: absorption spectrum and resonance Raman excitation profiles of the n??* transition. In: Chemical Physics Letters, 236 (1-2). 24-29 .

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Official URL: http://dx.doi.org/10.1016/0009-2614(95)00210-U

Abstract

Time-dependent wavepacket propagation techniques have been used to calculate the absorption spectrum and the resonance Raman excitation profiles of the n-pi* transition in azobenzene. A comparison of both the calculated absorption spectrum and excitation profiles with experiment has been made. From an analysis of the data, it is concluded that the Raman intensities are mainly due to resonance from the n-pi* transition and not from the pre-resonance of the pi-pi* transition, as reported earlier. We find that the isomerization pathway is through the inversion mechanism rather than by rotation. This is the first direct spectroscopic evidence for the isomerization pathway in trans-azobenzene.

Item Type: Journal Article
Additional Information: Copyright of this article belongs to Elsevier Science.
Department/Centre: Division of Chemical Sciences > Inorganic & Physical Chemistry
Date Deposited: 02 Jun 2011 08:52
Last Modified: 02 Jun 2011 08:52
URI: http://eprints.iisc.ernet.in/id/eprint/38144

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