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Theoretical analysis of the resonance Raman spectrum of tryptophan

✍ Scribed by Giancarlo Marconi


Publisher
John Wiley and Sons
Year
1991
Tongue
English
Weight
406 KB
Volume
22
Category
Article
ISSN
0377-0486

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✦ Synopsis


Abstract

The resonance Raman excitation profiles of tryptophan in the region 240‐200 nm were calculated, taking into account the molecular properties of its chromophore, indole. The relevant quantities such as state displacements and vibronic coupling terms were evaluated by means of quantum mechanical semi‐empirical methods. The results allow the identification of the strongest modes and of the main mechanism governing the Raman scattering. It is found that the spectrum is dominated by the terms in resonance with the B~b~ and B~a~ states of indole, with possible interference between these contributions. The vibronic effects, negligible in resonance, become important in preresonance regions.


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## Abstract A detailed theoretical treatment of the second‐order Raman efficiency is given for incident photon energies below an excitonic resonance. The Wannier excitons are considered as intermediate states in the scattering process. By using the Green's function method, the expression for the Ra