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Two-color resonance enhanced multi-photon ionization and mass analyzed threshold ionization spectroscopy of 2-aminobenzonitrile and the CN substitution effect
Chemical Physics Letters ( IF 2.8 ) Pub Date : 2017-12-29 , DOI: 10.1016/j.cplett.2017.12.073
Yinghui Jin , Yan Zhao , Yonggang Yang , Lirong Wang , Changyong Li , Suotang Jia

Two-color resonance two-photon ionization and mass analyzed threshold ionization spectra of 2-aminobenzonitrile have been obtained. The band origin of the S1S0 transition and the precise ionization energy (IE) were determined to be 31265 ± 2 cm-1 and 66653 ± 5 cm-1, respectively. The most active modes in the S1 and D0 states are related to the in-plane ring vibrations. The relative errors of IE estimated by CBS-QB3 and G4 are -0.18% and +1.47%, respectively. The theoretical calculations well support our experimental findings.



中文翻译:

2-氨基苄腈的双色共振增强多光子电离和质谱分析阈值电离光谱及其CN取代效应

获得了2-氨基苄腈的双色共振双光子电离和质量分析阈值电离光谱。S 1S 0跃迁的能带起点和精确电离能(IE)分别确定为31265±2 cm -1和66653±5 cm -1。在S 1和D 0状态下最活跃的模式与面内环振动有关。CBS-QB3和G4估计的IE的相对误差分别为-0.18%和+ 1.47%。理论计算很好地支持了我们的实验结果。

更新日期:2017-12-31
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