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Interaction of electronic structure and nuclear dynamics on the S1 reaction surface for the ring opening of cyclohexadiene (2000)

Hofmann, A. ; Kurtz, L. ; de Vivie-Riedle, R.

Springer

Applied physics 71 (2000), S. 391-396

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ISSN: 1432-0649

Keywords: PACS: 82.20.Kh; 82.40.Js; 82.20.Hf

Source: Springer Online Journal Archives 1860-2000

Topics: Physics

Notes: 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.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1007/s003400000355

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