Ultrafast proton transfer dynamics of 2-(2'-hydroxyphenyl)benzoxazole dye in different solvents  

作　　者：Simei Sun Song Zhang Jiao Song Xiaoshan Guo Chao Jiang Jingyu Sun Saiyu Wang 孙四梅;张嵩;宋娇;郭小珊;江超;孙静俞;王赛玉(Huangshi Key Laboratory of Photoelectric Technology and Materials,College of Physics and Electronic Science,Hubei Normal University,Huangshi 435002,China;State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics,Innovation Academy for Precision Measurement Science and Technology,Chinese Academy of Sciences,Wuhan 430071,China;Hubei Key Laboratory of Pollutant Analysis&Reuse Technology,College of Chemistry and Chemical Engineering,Hubei Normal University,Huangshi 435002,China)

机构地区：[1]Huangshi Key Laboratory of Photoelectric Technology and Materials,College of Physics and Electronic Science,Hubei Normal University,Huangshi 435002,China [2]State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics,Innovation Academy for Precision Measurement Science and Technology,Chinese Academy of Sciences,Wuhan 430071,China [3]Hubei Key Laboratory of Pollutant Analysis&Reuse Technology,College of Chemistry and Chemical Engineering,Hubei Normal University,Huangshi 435002,China

出　　处：《Chinese Physics B》2022年第2期606-612,共7页中国物理B（英文版）

基　　金：supported by the Natural Science Foundation of Hubei Province,China(Grant No.2020CFB468);the Guiding Project of Scientific Research Plan of Department of Education of Hubei Province,China(Grant No.B2020136);the National Key Research and Development Program of China(Grant No.2019YFA0307700);the National Natural Science Foundation of China(Grant Nos.11974381,11674355,and 21507027)。

摘　　要：The excited-state intramolecular proton transfer of 2-(2-hydroxyphenyl)benzoxazole dye in different solvents is investigated using ultrafast femtosecond transient absorption spectroscopy combined with quantum chemical calculations.Conformational conversion from the syn-enol configuration to the keto configuration is proposed as the mechanism of excited-state intramolecular proton transfer.The duration of excited-state intramolecular proton transfer is measured to range from 50 fs to 200 fs in different solvents.This time is strongly dependent on the calculated energy gap between the N-S;and T-S;structures in the S;state.Along the proton transfer reaction coordinate,the vibrational relaxation process on the S;state potential surface is observed.The duration of the vibrational relaxation process is determined to be from8.7 ps to 35 ps dependent on the excess vibrational energy.

关 键 词：proton transfer vibrational relaxation femtosecond transient absorption spectroscopy quantum chemical calculations 

分 类 号：TQ610.1[化学工程—精细化工] O657.3[理学—分析化学] O643.1[理学—化学]