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제112회 대한화학회 학술발표회, 총회 및 기기전시회 안내 Substituent Effect of Hetero Multi-Substituents on Electronic Transition Energy

등록일
2013년 8월 21일 10시 12분 32초
접수번호
0101
발표코드
PHYS.P-267 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
발표시간
10월 16일 (수요일) 16:00~19:00
발표형식
포스터
발표분야
물리화학
저자 및
공동저자
이은혜, 윤영욱, 이상국*
부산대학교 화학과, Korea
Conjugated double bonded organic molecules are excellent candidates for testing free electron molecular orbital theory of π electronic states using ‘a particle-in-box’ eigenfunctions. The theory assumes that π electrons in a conjugated molecule can be separated from σ electrons and that the σ frame is frozen. In addition, all interelectronic interactions are neglected and the effective potential acting on each π electron is assumed to be given by ‘a particle in-a-box’ potential. The shift of the origin band of the multi-hetero-substituted benzyl-type radicals has been studied using a substituent effect on the electronic transition energy to rationalize the model developed for the shift of the electronic transition. We generated vibronically excited but jet-cooled multi-hetero-substituted benzyl-type radicals from substituted toluene precursors using a pinhole-type glass nozzle in a technique of corona excited supersonic expansion, from which visible vibronic emission spectra were recorded using a long-path monochromator. From an analysis of the spectra observed, we found the model developed for substituent effect on electronic transition energy of aromatic compounds explains well the observation. The orientation effect of substituents on the benzene ring agrees very well with those obtained from methyl, fluorine, and chlorine-substituted benzyl radicals. In this presentation, we will describe the model developed and compare the agreements with the observation for multi-hetero-substituted benzyl-type radicals.

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