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11 State-to-state rotational inelastic scattering of free radicals

11 State-to-state rotational inelastic scattering of free radicals State-to-state rotational inelastic scattering of free radicals Hiroshi Kohguchi a and Toshinori Suzuki *a,b,c Institute for Molecular Science and The Graduate University for Advanced Studies, Okazaki, Myodaiji 444-8585, Japan b Chemical Dynamics Laboratory, RIKEN, Hirosawa, Wako 351-0198, Japan. E-mail: suzuki@ims.ac.jp c PRESTO, Japan Science and Technology Corporation, Kawaguchi, Saitama, Japan Introduction Free radicals play important roles in a vast area of chemistry, and great efforts have been devoted to their structural and dynamic studies. Having unpaired electrons, free radicals are accompanied by closely-lying electronic states, which inevitably give rise to multi-surface non-adiabatic collision dynamics beyond the Born–Oppenheimer approximation. Rotational inelastic scattering (RIS) is the simplest scattering process of free radicals without a chemical change. However, it captures the essential feature of multi-surface dynamics with various quantum interference effects. Furthermore, this is the only scattering process of radicals for which highly accurate quantum mechanical computations and detailed experimental investigations at the state-to-state level are currently available. Full elucidation of RIS through critical comparison of the most advanced theory with experiments will establish a firm basis for elucidating reactive scattering of free radicals to be accomplished in the future. RIS attracts further attention in relation to other research fields. For http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Annual Reports Section "C" (Physical Chemistry) Royal Society of Chemistry

11 State-to-state rotational inelastic scattering of free radicals

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Publisher
Royal Society of Chemistry
Copyright
This journal is © The Royal Society of Chemistry
ISSN
0260-1826
eISSN
1460-4787
DOI
10.1039/b111167c
Publisher site
See Article on Publisher Site

Abstract

State-to-state rotational inelastic scattering of free radicals Hiroshi Kohguchi a and Toshinori Suzuki *a,b,c Institute for Molecular Science and The Graduate University for Advanced Studies, Okazaki, Myodaiji 444-8585, Japan b Chemical Dynamics Laboratory, RIKEN, Hirosawa, Wako 351-0198, Japan. E-mail: suzuki@ims.ac.jp c PRESTO, Japan Science and Technology Corporation, Kawaguchi, Saitama, Japan Introduction Free radicals play important roles in a vast area of chemistry, and great efforts have been devoted to their structural and dynamic studies. Having unpaired electrons, free radicals are accompanied by closely-lying electronic states, which inevitably give rise to multi-surface non-adiabatic collision dynamics beyond the Born–Oppenheimer approximation. Rotational inelastic scattering (RIS) is the simplest scattering process of free radicals without a chemical change. However, it captures the essential feature of multi-surface dynamics with various quantum interference effects. Furthermore, this is the only scattering process of radicals for which highly accurate quantum mechanical computations and detailed experimental investigations at the state-to-state level are currently available. Full elucidation of RIS through critical comparison of the most advanced theory with experiments will establish a firm basis for elucidating reactive scattering of free radicals to be accomplished in the future. RIS attracts further attention in relation to other research fields. For

Journal

Annual Reports Section "C" (Physical Chemistry)Royal Society of Chemistry

Published: Jul 3, 2002

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