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VUV photoionization and dissociative photoionization of o-xylene: experimental and theoretical insights

  • Regular Article - Molecular Physics and Chemical Physics
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The European Physical Journal D Aims and scope Submit manuscript

Abstract

The photoionization and dissociative photoionization of o-xylene have been studied using synchrotron radiation vacuum ultraviolet light with the photon energy in the range of 8.0–13.0 eV. The ionization energy of o-xylene and the appearance energies for the main fragment ions \(\hbox {C}_{\mathrm {8}}\hbox {H}_{\mathrm {9}}^{+}\), \(\hbox {C}_{\mathrm {7}}\hbox {H}_{\mathrm {7}}^{+}\) and \(\hbox {C}_{\mathrm {6}}\hbox {H}_{\mathrm {6}}^{+}\) were determined to be 8.45, 11.08, 11.47 and 11.17 eV, respectively, with photoionization efficiency spectra (PIES). Three dissociation pathways of parent ions are investigated by experimental photoionization and the quantum-chemical calculations. The fragment ions \(\hbox {C}_{\mathrm {7}}\hbox {H}_{\mathrm {7}}^{\mathrm {+}}\) derived from parent ions involved hydrogen atom transfer rather than direct dissociation. Particularly, detailed mechanisms of dissociation \(\hbox {C}_{\mathrm {6}}\hbox {H}_{\mathrm {6}}^{+}\) are presented for the first time in this work. In addition, the geometries of the intermediates (INTs), transition states (TSs) and products have been performed at B3LYP/6-311 \(+ \,+\) G (d, p) level. The mechanisms of dissociative photoionization of o-xylene and the INTs and TSs involved are discussed in detail.

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Data Availability Statement

This manuscript has no associated data, or the data will not be deposited. [Author’s comment: All data generated during this study are contained in this published article.]

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Acknowledgements

This work was supported by the National Natural Science Foundation of China (No.11275006, No.11805032, No.11505027, No.11575178, No.U1532137), Nuclear Technology Application Engineering Research Center Open Foundation of Ministry of Education (No.HJSJYB2015-6, No.HJSJYB2018-6), the Chinese Scholarship Council (No.201608360053), the Graduate Students High-Quality Course Construction Program of Jiangxi Province (No.JXYYK2016-12), the China Postdoctoral Science Foundation(No.2013M531530), the Doctoral Foundation of East China University of Technology (No.DHBK201401) and the Provincial Natural Science Research Program of Higher Education Institutions of Anhui Province (No.KJ2012B086), Natural Science Foundation of Education Department of Guizhou Province ([2016]110) and Natural Science Foundation of Department of Science and Technology of Guizhou Province ([2020]QNSYXM03).

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Author notes

  1. Yujie Zhao and Pei Huang have contributed equally to this work.

Authors and Affiliations

  1. School of Nuclear Science and Engineering, East China University of Technology, Nanchang, 330013, People’s Republic of China

    Yujie Zhao, Pei Huang, Li Li, Ke Wang, Haohang Yang, Jianhui Jin, Yuqian Chen, Qi Zeng, Junjie Du & Yibao Liu

  2. National Synchrotron Radiation Laboratory, School of Nuclear Science and Technology, University of Science and Technology of China, Hefei, 230029, People’s Republic of China

    Yujie Zhao & Liusi Sheng

  3. School of Chemistry and Chemical Engineering, Qiannan Normal University for Nationalities, Duyun, 558000, People’s Republic of China

    Maoqi Cao

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  1. Yujie Zhao
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Correspondence to Yujie Zhao.

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Zhao, Y., Huang, P., Li, L. et al. VUV photoionization and dissociative photoionization of o-xylene: experimental and theoretical insights. Eur. Phys. J. D 75, 128 (2021). https://doi.org/10.1140/epjd/s10053-021-00135-2

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