Interaction of electronic structure and nuclear dynamics on the S1 reaction surface for the ring opening of cyclohexadiene |
| |
| Authors: | A Hofmann L Kurtz R de Vivie-Riedle |
| |
| Institution: | (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 |
| |
| 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 |
| |
| Keywords: | PACS: 82 20 Kh 82 40 Js 82 20 Hf |
| 本文献已被 SpringerLink 等数据库收录！ |
