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• W2071035318 abstract "Abstract Time-dependent wavepacket propagation techniques have been used to calculate the absorption spectrum and the resonance Raman excitation profiles of the n −π ∗ 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 −π ∗ transition and not from the pre-resonance of the π−π ∗ 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." @default.
• W2071035318 created "2016-06-24" @default.
• W2071035318 creator A5022355698 @default.
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• W2071035318 date "1995-04-01" @default.
• W2071035318 modified "2023-09-27" @default.
• W2071035318 title "Wavepacket dynamical studies on trans-azobenzene: absorption spectrum and resonance Raman excitation profiles of the n−π∗ transition" @default.
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• W2071035318 doi "https://doi.org/10.1016/0009-2614(95)00210-u" @default.
• W2071035318 hasPublicationYear "1995" @default.
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