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Dissociative photoionization of isoprene: experiments and calculations
Author(s) -
Liu Xianyun,
Zhang Weijun,
Wang Zhenya,
Huang Mingqiang,
Yang Xibin,
Tao Ling,
Sun Yue,
Xu Yuntao,
Shan Xiaobin,
Liu Fuyi,
Sheng Liusi
Publication year - 2009
Publication title -
journal of mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.475
H-Index - 121
eISSN - 1096-9888
pISSN - 1076-5174
DOI - 10.1002/jms.1518
Subject(s) - photoionization , chemistry , dissociation (chemistry) , ion , mass spectrometry , isoprene , photodissociation , ionization , ionization energy , atomic physics , bond dissociation energy , photoionization mode , analytical chemistry (journal) , photochemistry , physics , organic chemistry , chromatography , copolymer , polymer
Vacuum ultraviolet (VUV) dissociative photoionization of isoprene in the energy region 8.5–18 eV was investigated with photoionization mass spectroscopy (PIMS) using synchrotron radiation (SR). The ionization energy (IE) of isoprene as well as the appearance energies (AEs) of its fragment ions C 5 H 7 + , C 5 H 5 + , C 4 H 5 + , C 3 H 6 + , C 3 H 5 + , C 3 H 4 + , C 3 H 3 + and C 2 H 3 + were determined with photoionization efficiency (PIE) curves. The dissociation energies of some possible dissociation channels to produce those fragment ions were also determined experimentally. The total energies of C 5 H 8 and its main fragments were calculated using the Gaussian 03 program and the Gaussian‐2 method. The IE of C 5 H 8 , the AEs for its fragment ions, and the dissociation energies to produce them were predicted using the high‐accuracy energy model. According to our results, the experimental dissociation energies were in reasonable agreement with the calculated values of the proposed photodissociation channels of C 5 H 8 . Copyright © 2009 John Wiley & Sons, Ltd.