A Theoretical Study of the Resonance Raman Scattering from a Molecular System. Effects of Vibronic and Nonadiabatic Couplings
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- Katsumi Seo
- Department of Chemistry, Faculty of Science, Tohoku University
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- Hirohiko Kono
- Department of Chemistry, Faculty of Science, Tohoku University
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- Yuichi Fujimura
- Department of Chemistry, Faculty of Science, Tohoku University
抄録
<jats:title>Abstract</jats:title> <jats:p>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 ns-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, Δ, 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.</jats:p>
収録刊行物
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- Bulletin of the Chemical Society of Japan
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Bulletin of the Chemical Society of Japan 55 (1), 266-276, 1982-01-01
Oxford University Press (OUP)
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詳細情報 詳細情報について
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- CRID
- 1360002219101794944
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- NII論文ID
- 130001986834
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- ISSN
- 13480634
- 00092673
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