Wavepacket dynamical studies on trans-azobenzene: absorption spectrum and resonance Raman excitation profiles of the n−π∗ transition
✍ Scribed by N. Biswas; S. Umapathy
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 613 KB
- Volume
- 236
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
Time-dependent wavepacket propagation techniques have been used to calculate the absorption spectrum and the resonance Raman excitation profiles of the n-'rr * 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-'n" * transition and not from the pre-resonance of the 'n'-'rr * 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 fin' the isomerization pathway in trans-azobenzene.