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  • 09월 10일 16시 이후 : 초록수정 불가능, 일정확인 및 검색만 가능

제124회 대한화학회 학술발표회, 총회 및 기기전시회 안내 Electronic and Vibrational Spectroscopic Studies of Jet-cooled 2-cyanoindole and Its water cluster, 2CI-(H2O)n (n = 0 - 3)

2019년 8월 29일 16시 48분 35초
PHYS.P-222 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
10월 17일 (목요일) 11:00~12:30
Physical Chemistry
저자 및
Hak Seung Ryu, Cheol Joo Moon1, Myong Yong Choi1,*
Gyeongsang National University, Korea
1Department of Chemistry, Gyeongsang National University, Korea
In this study, 2-cyanoindole (2CI) has found some spectroscopic interest about excited in the gas phase. The excitation spectra of 2-cyanoindole (2CI) and its water clusters, 2CI-(H H2O) Hn(n=1~3), have been measured by using mass-selected resonant two-photon ionization (R2PI) in the gas phase. For monomer, R2PI spectrum was obtained, but with abroad spectral feature. However, it was possible to observe sharp spectral peaks for 2CI-(H H2O) H1-3 clusters upon adding water. Moreover, the origin band of each cluster shifted to the red frequency as the number of water increased. These result suggest that the addition of water molecules sufficiently lengthens the excited-state lifetime that we obtain a fully vibrationally resolved electronic spectrum. The transition energy of the origin band of the R2PI spectrum was compared with that obtained by density functional theory (DFT) calculations. Then, we obtained UV-UV hole-burning (UV-UV HB) spectra to identify the number of conformers in the 2-cyanoindole and their water clusters. Here report the structural information of 2CI water clusters by comparing the each IR-dip spectra and those from the theory. Further investigation on the structures of 2CI and its water clusters will be investigated and discussed by IR-dip spectroscopic studies in this poster. The spectroscopic properties of excited states in gas phase are investigated and discussed by comparing with those obtained from the theoretical calculations.