Synchrotron radiation VUV double photoionization of CHF2Cl

Yujie Zhao; Yue Sun; Jinda Sun; Wenzheng Fang; Xiaobin Shan; Fuyi Liu; Liusi Sheng; Zhenya Wang

doi:10.1016/j.elspec.2009.03.019

Synchrotron radiation VUV double photoionization of CHF₂Cl

Yujie Zhao, Yue Sun, Jinda Sun, Wenzheng Fang, Xiaobin Shan, Fuyi Liu, Liusi Sheng^*, Zhenya Wang

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

10 Scopus citations

Abstract

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.

Original language	English
Pages (from-to)	24-28
Number of pages	5
Journal	Journal of Electron Spectroscopy and Related Phenomena
Volume	173
Issue number	1
DOIs	https://doi.org/10.1016/j.elspec.2009.03.019
State	Published - Jun 2009
Externally published	Yes

Keywords

Chlorodifluoromethane
Dication
Double ionization energy
Double photoionization
Synchrotron radiation

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10.1016/j.elspec.2009.03.019

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@article{56fab9dff4d44c1caf88e9cf8c8c0438,

title = "Synchrotron radiation VUV double photoionization of CHF2Cl",

abstract = "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.",

keywords = "Chlorodifluoromethane, Dication, Double ionization energy, Double photoionization, Synchrotron radiation",

author = "Yujie Zhao and Yue Sun and Jinda Sun and Wenzheng Fang and Xiaobin Shan and Fuyi Liu and Liusi Sheng and Zhenya Wang",

year = "2009",

month = jun,

doi = "10.1016/j.elspec.2009.03.019",

language = "英语",

volume = "173",

pages = "24--28",

journal = "Journal of Electron Spectroscopy and Related Phenomena",

issn = "0368-2048",

publisher = "Elsevier B.V.",

number = "1",

}

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 -

Synchrotron radiation VUV double photoionization of CHF₂Cl

Abstract

Keywords

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