The Resonance Raman Spectra Of Biologically Relevant Polyene Derivatives in T1: A Theoretical Investigation | Zendy

Fabrizia Negri | Zendy; Giorgio Orlandi | Zendy

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The Resonance Raman Spectra Of Biologically Relevant Polyene Derivatives in T1: A Theoretical Investigation

Author(s) -

Fabrizia Negri,

Giorgio Orlandi

Publication year - 1999

Publication title -

laser chemistry

Language(s) - English

Resource type - Journals

eISSN - 1026-8014

pISSN - 0278-6273

DOI - 10.1155/1999/59018

Subject(s) - chemistry , polyene , raman spectroscopy , resonance (particle physics) , spectral line , computational chemistry , quantum chemical , atomic physics , molecule , organic chemistry , quantum mechanics , physics

The vibrational structure of the T 1 resonance Raman spectra of β-ionylideneacetaldehyde (C15 aldehyde) and retinal are analyzed with the help of semiempiricalquantum chemical calculations. The T 1 equilibrium structures and vibrational forcefields, along with the structure in the T n state which is in resonance with the excitingwavelength, are obtained and employed to model the spectra under the assumption of adominant Franck–Condon mechanism.

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