Year: 2014
Author: Qiang Zhang, Maoqi Cao, Xiaobin Shan, Yuquan Li, Zhenya Wang, Liusi Sheng
Journal of Atomic and Molecular Sciences, Vol. 5 (2014), Iss. 2 : pp. 148–155
Abstract
A molecular beam experiment on the formation of $H^+_3$ has been carried out by using tunable vacuum ultraviolet (VUV) synchrotron radiation. Reflectron time-of-flight mass spectrometer is applied to detect the signal of $H^+_3.$ The ionization energy (IE) of $H_2$ and the appearance energy (AE) of $H^+_3$ are determined to be 15.41 eV and 14.61 eV, respectively, by measurements of photoionization efficiency (PIE) curves. Additionally, two most likely $H^+_3$ formation ways, $(H_2)2\rightarrow H^3_+ +H$ and $(H_2)_3 \rightarrow H^+_3 +H+H_2,$ are discussed by ab initio calculations at CCSD(T) and MP2 level with aug-cc-pVQZ basis set and compared with the experimental result. The optimized geometries of species involved in the dissociative photoionization channels are also determined at MP2/aug-cc-pVQZ level.
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Journal Article Details
Publisher Name: Global Science Press
Language: English
DOI: https://doi.org/10.4208/jams.042813.070213a
Journal of Atomic and Molecular Sciences, Vol. 5 (2014), Iss. 2 : pp. 148–155
Published online: 2014-01
AMS Subject Headings: Global Science Press
Copyright: COPYRIGHT: © Global Science Press
Pages: 8
Keywords: $H^+_3$ photoionization synchrotron radiation ab initio calculation.