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.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.