Study on $H_3^+$ Formation by Synchrotron Radiation

Authors

  • Qiang Zhang National Synchrotron Radiation Laboratory, School of Nuclear Science and Technology, University of Science and Technology of China, Hefei 230029, China
  • Maoqi Cao National Synchrotron Radiation Laboratory, School of Nuclear Science and Technology, University of Science and Technology of China, Hefei 230029, China
  • Xiaobin Shan National Synchrotron Radiation Laboratory, School of Nuclear Science and Technology, University of Science and Technology of China, Hefei 230029, China
  • Yuquan Li National Synchrotron Radiation Laboratory, School of Nuclear Science and Technology, University of Science and Technology of China, Hefei 230029, China
  • Zhenya Wang Laboratory of Environmental Spectroscopy, Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Hefei 230031, China
  • Liusi Sheng National Synchrotron Radiation Laboratory, School of Nuclear Science and Technology, University of Science and Technology of China, Hefei 230029, China

DOI:

https://doi.org/10.4208/jams.042813.070213a

Keywords:

$H^+_3$, photoionization, synchrotron radiation, ab initio calculation.

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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Published

2014-05-01

Issue

Vol. 5 No. 2 (2014)

Section

Articles