Qin Zhengbo, Cong Ran, Liu Zhiling, Xie Hua, Tang Zichao, Fan Hongjun
State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China.
J Chem Phys. 2014 Jun 7;140(21):214318. doi: 10.1063/1.4879808.
Low-energy photoelectron imaging spectra of HCS2(-) are reported for the first time. Vibrationally resolved photodetachment transitions from the ground state of HCS2(-) to the ground state and low-lying excited states of HCS2 are observed. Combined with the ab intio calculations and Franck-Condon simulations, well-resolved vibrational spectra demonstrate definitive evidence for the resolution of the ground-state and excited states of HCS2 radical in the gaseous phase. The ground state and two low-lying excited states of HCS2 radical are assigned as (2)B2, (2)A2, and (2)A1 states, respectively. The adiabatic electron affinity is determined to be 2.910 ± 0.007 eV. And the term energies of the excited states, T0 = 0.451 ± 0.009 eV and 0.553 ± 0.009 eV, are directly measured from the experimental data, respectively. Angular filtering photoelectron spectra are carried out to assist in the spectral band assignment.
首次报道了HCS2(-)的低能光电子成像光谱。观察到从HCS2(-)基态到HCS2基态和低激发态的振动分辨光解离跃迁。结合从头算计算和弗兰克-康登模拟，分辨良好的振动光谱为气相中HCS2自由基基态和激发态的分辨提供了确凿证据。HCS2自由基的基态和两个低激发态分别被指定为(2)B2、(2)A2和(2)A1态。绝热电子亲和能确定为2.910±0.007 eV。激发态的项能量T0 = 0.451±0.009 eV和0.553±0.009 eV分别直接从实验数据中测量得到。进行角滤波光电子能谱以辅助光谱带的归属。
