Ultrafast photodynamics of furan

Takao Fuji, Yoshi Ichi Suzuki, Takuya Horio, Toshinori Suzuki, Roland Mitrić, Ute Werner, Vlasta Bonačić-Koutecký

研究成果: Contribution to journalArticle査読

57 被引用数 (Scopus)

抄録

Ultrafast photodynamics of furan has been studied by time-resolved photoelectron imaging (TRPEI) spectroscopy with an unprecedented time resolution of 22 fs. The simulation of the time-dependent photoelectron kinetic energy distribution (PKED) has been performed with ab initio nonadiabatic dynamics on the fly in the frame of time-dependent density functional theory. Based on the agreement between experimental and theoretical time-dependent photoelectron signal intensity as well as on PKED, precise time scales of ultrafast internal conversion from S2 over S1 to the ground state S 0 of furan have been revealed for the first time. Upon initial excitation of the S2 state which has -* character, a nonadiabatic transition to the S1 state occurs within 10 fs. Subsequent dynamics invokes the excitation of the C-O stretching and C-O-C out of plane vibrations which lead to the internal conversion to the ground state after 60 fs. Thus, we demonstrate that the TRPEI combined with high level nonadiabatic dynamics calculations provide fundamental insight into ultrafast photodynamics of chemically and biologically relevant chromophores.

本文言語英語
論文番号234303
ジャーナルJournal of Chemical Physics
133
23
DOI
出版ステータス出版済み - 12 21 2010
外部発表はい

All Science Journal Classification (ASJC) codes

  • 物理学および天文学(全般)
  • 物理化学および理論化学

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