A theoretical study of the resonance raman scattering from a molecular system. Effects of vibronic and nonadiabatic couplings.
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概要
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A theory of the resonance Raman scattering (RRS) from a molecular system in which the vibronic levels of the resonance state are perturbed by both the Herzberg-Teller vibronic and the nonadiabatic coupling is developed. By using the time-independent Green-function formalism, an expression for the RRS is derived in the three-electronic-state model. The RRS cross-sections obtained are classified into four types: the pure RRS cross-section, independent of the coupling mode: the vibronically induced one, the nonadiabatically induced one, and the interference term. Assuming that the molecular system consists of a totally symmetric mode characterized by a displaced harmonic oscillator, with a nontotally symmetric mode as the inducing mode, analytical expressions for the relevant RRS cross-sections of the <I>n</I><SUB>s</SUB>-th order vibrational transition for the totally symmetric mode are derived. Model calculations of the cross-sections indicate that, for an increasing potential displacement parameter, <I>Δ</I>, between the coupled states, the nonadiabatic correction to the higher-order vibrational transitions, as well as the zero-order vibrational transition, makes a significant contribution.
- 公益社団法人 日本化学会の論文
著者
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Fujimura Yuichi
Department Of Chemistry Graduate School Of Science Tohoku University
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Kono Hirohiko
Department Of Chemistry Graduate School Of Science Tohoku University
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Kono Hirohiko
Department of Chemistry, Faculty of Science, Tohoku University
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Seo Katsumi
Department of Chemistry, Faculty of Science, Tohoku University
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