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| Type |
Oral Presentation |
| Area |
Oral Presentation for Young Scholars in Physical Chemistry |
| Room No. |
Room 208+209+210 |
| Time |
THU 09:10-: |
| Code |
PHYS.O-2 |
| Subject |
Structural transformations on the bond fission dynamics of 2-methoxythiophenol-d1 |
| Authors |
Jean Sun Lim, Sang Kyu Kim*
Department of Chemistry, Korea Advanced Institute of Science and Technology, Korea
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| Abstract |
Bond fission dynamics of 2-methoxythiophenol-d1 (C5H5OCH3SD) has been investigated in the first exited state by velocity map imaging method. The photofragment D atom was detected and their low and high total kinetic energy release (TKER) distributions correspond to the ground (X ̃) and excited (Ã) state of the cofragment 2-methoxythiophenoxyl radical. At band origin of the first excited state, the striking X ̃/ Ã ratio of the photoproducts was observed in comparison with the ratios of other thiophenol derivatives [1]. This result was quite surprising because the electronic excitation to the first excited state (ππ*) induces structural change from planar to nonplanar and thus a low X ̃/ Ã ratio was expected. It indicates that the molecule adopts planar structure on the dissociative πσ* potential energy surface and passes the πσ*/S0 conical intersection. The relax scan on the first excited state along the S-H bond length supports the explained dynamics. The intramolecular hydrogen bonding between the hydrogen and oxygen in the methoxy group would play a major role in the dissociation dynamics. As increasing the excitation energy, the adiabatic pathways (with nonplanar structure) become active as internal energy increases.
Reference 1. Songhee Han, Hyun Sik You, So-Yeon Kim, and Sang Kyu Kim, J. Phys. Chem. A. 118, 6940 (2014). |
| E-mail |
pocce@kaist.ac.kr |
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120th General Meeting of the KCS