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  • 09월 05일 17시 이후 : 초록수정 불가능, 일정확인 및 검색만 가능
대회명 대한화학회 제120회 학술발표회 및 총회
등록일 2017년 08월 24일 16시 19분 51초
접수번호 1971
발표코드 PHYS.O-2 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
발표시간 목 09시 : 10분
발표형식 구두발표
발표분야 Physical Chemistry - Oral Presentation for Young Scholars in Physical Chemistry
저자 및 공동저자 Jean Sun Lim, Sang Kyu Kim*
Department of Chemistry, Korea Advanced Institute of Science and Technology, Korea
제목 Structural transformations on the bond fission dynamics of 2-methoxythiophenol-d1
내용 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).
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