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| Type |
Poster Presentation |
| Area |
Physical Chemistry |
| Room No. |
Event Hall |
| Time |
4월 20일 (금요일) 11:00~12:30 |
| Code |
PHYS.P-160 |
| Subject |
Ultrafast S1 state lifetime of thiophenol |
| Authors |
Junggil Kim, Kyung Chul Woo, Kyoung-Koo Baeck1, Sang Kyu Kim*
Department of Chemistry, Korea Advanced Institute of Science and Technology, Korea
1Department of Chemistry, Gangneung-Wonju National University, Korea
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| Abstract |
Ultrafast photodissociaiton of S-H bond on the S1 state of thiophenol have been studied by femtosecond time-resolved ion yield spectroscopy and quantum wavepacket simulation. The observation of parent ion transient reveals that the wavepacket prepared near the S1 state origin of PhSH decays within 50 fs of time constant and that of deuterium-substituted thiophenol-d1 60 fs, indicating the dissociative potential barrier is very shallow than expected in previous studies. On the basis of ab initio calculation, we have modified a 2D potential energy surface which can elaborates the existence of the saddle points at RS-H = 1.513 Å having lower energy than conical intersection between 1πσ* state and 1ππ* state. Wavepacket dynamics simulation on the new adiabatic S1 potential energy surface successfully reproduce the ultrafast dynamics of thiophenol that is in good agreement with our experiment. It suggests that the population excited on the S1 state beneath the conical intersection mainly dissociates through the saddle point in adiabatic way. |
| E-mail |
abomi@kaist.ac.kr |
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121st General Meeting of the KCS