Experimental and Theoretical Study on p-Chlorofluorobenzene in the S0,S1 and D0 States

作     者：Jia-nan Fan Ting-ting Cui Zheng-bo Qin Xian-feng Zheng Zhi-feng Cui 凡佳囡;崔婷婷;秦正波;郑贤锋;崔执凤

作者机构：Anhui Province Key Laboratory of Optoelectric Materials Science and TechnologyDepartment of PhysicsAnhui Normal UniversityWuhu 241000China 

出 版 物：《Chinese Journal of Chemical Physics》 (化学物理学报（英文）)

年 卷 期：2020年第33卷第4期

页      面：401-410,I0001页

核心收录：

学科分类：081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 070303[理学-有机化学] 0703[理学-化学] 0702[理学-物理学] 

基　　金：the National Natural Science Foundation of China(No.11674003,No.21873003,No.21503003,No.11704004,and No.61475001) Anhui Natural Science Foundation(No.1908085QA17) support from Special Program for Applied Research on Super Computation of the NSFC-Guangdong Joint Fund(the second phase)(No.U1501501) Super Computation Center of Shenzhen 

主　　题：Resonance-enhanced multiphoton ionization Slow electron velocity-map imaging Duschinsky mixing para-Chlorofluorobenzene 

摘      要：The geometric structures and vibration frequencies of para-chlorofluorobenzene(p-Cl FPh)in the first excited state of neutral and ground state of cation were investigated by resonanceenhanced multiphoton ionization and slow electron velocity-map *** infrared spectrum of S0 state and absorption spectrum for S1←S0 transition in p-Cl FPh were also *** on the one-color resonant two-photon ionization spectrum and two-color resonant two-photon ionization spectrum,we obtained the adiabatic excited-state energy of p-Cl FPh as 36302±4 cm^-*** the two-color resonant two-photon ionization slow electron velocity-map imagin spectra,the accurate adiabatic ionization potential of p-Cl FPh was extrapolated as 72937±8 cm^-1 via threshold ionization *** addition,FranckCondon simulation was performed to help us confidently ascertain the main vibrational modes in the S1 and D0 ***,the mixing of vibrational modes between S0→S1 and S1→D0 has been analyzed.