Interaction of electronic structure and nuclear dynamics on the S1 reaction surface for the ring opening of cyclohexadiene |
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Authors: | A. Hofmann L. Kurtz R. de Vivie-Riedle |
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Affiliation: | (1) Max-Planck-Institut für Quantenoptik, Hans-Kopfermann-Strasse 1, 85748 Garching, Germany (E-mail: angelika.hofmann@mpq.mpg.de; lukas.kurtz@mpq.mpg.de; regina.de_vivie-riedle@mpq.mpg.de), DE |
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Abstract: | For the ultrafast photoinduced ring opening of cyclohexadiene the S1 state plays a central role, providing the possibility to rapidly decay to the ground state. In this paper we follow the path of a wavepacket propagating in the reactive coordinate space of the S1 surface. We present a detailed analysis of the corresponding electronic and nuclear motions. With the help of a projection method and a normal-mode analysis, the vibrational modes driving the reaction might be detected experimentally. Received: 10 November 1999 / Published online: 13 July 2000 |
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Keywords: | PACS: 82.20.Kh 82.40.Js 82.20.Hf |
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