TY - JOUR
T1 - Synchrotron radiation VUV double photoionization of CHF2Cl
AU - Zhao, Yujie
AU - Sun, Yue
AU - Sun, Jinda
AU - Fang, Wenzheng
AU - Shan, Xiaobin
AU - Liu, Fuyi
AU - Sheng, Liusi
AU - Wang, Zhenya
PY - 2009/6
Y1 - 2009/6
N2 - VUV double photoionization of CHF2Cl in an energy region 32-40 eV was investigated with photoionization mass spectroscopy by using synchrotron radiation. The double ionization energy of CHF2Cl and appearance energies for its main fragment dications (CHCl2+, CF22+ and CHFCl2+), were determined with photoionization efficiency spectroscopy for the first time. The single point energies of CHF2Cl and its parent dication (CHF2Cl2+) were calculated using Gaussian 03 program and density functional theory (DFT and B3LYP functional). The vertical double ionization energy of CHF2Cl was predicted by using B3LYP method and empirical equation. According to our research results, the experimental double ionization energy of CHF2Cl is in good agreement with the theoretically calculated vertical double ionization energy. The mechanism of double photoionization of CHF2Cl was discussed based on the comparison of our experimental results with those predicted theoretically.
AB - VUV double photoionization of CHF2Cl in an energy region 32-40 eV was investigated with photoionization mass spectroscopy by using synchrotron radiation. The double ionization energy of CHF2Cl and appearance energies for its main fragment dications (CHCl2+, CF22+ and CHFCl2+), were determined with photoionization efficiency spectroscopy for the first time. The single point energies of CHF2Cl and its parent dication (CHF2Cl2+) were calculated using Gaussian 03 program and density functional theory (DFT and B3LYP functional). The vertical double ionization energy of CHF2Cl was predicted by using B3LYP method and empirical equation. According to our research results, the experimental double ionization energy of CHF2Cl is in good agreement with the theoretically calculated vertical double ionization energy. The mechanism of double photoionization of CHF2Cl was discussed based on the comparison of our experimental results with those predicted theoretically.
KW - Chlorodifluoromethane
KW - Dication
KW - Double ionization energy
KW - Double photoionization
KW - Synchrotron radiation
UR - https://www.scopus.com/pages/publications/65849522477
U2 - 10.1016/j.elspec.2009.03.019
DO - 10.1016/j.elspec.2009.03.019
M3 - 文章
AN - SCOPUS:65849522477
SN - 0368-2048
VL - 173
SP - 24
EP - 28
JO - Journal of Electron Spectroscopy and Related Phenomena
JF - Journal of Electron Spectroscopy and Related Phenomena
IS - 1
ER -