Volume 5, Issue 2
Study on $H_3^+$ Formation by Synchrotron Radiation

Qiang Zhang, Maoqi Cao, Xiaobin Shan, Yuquan Li, Zhenya Wang & Liusi Sheng

J. At. Mol. Sci., 5 (2014), pp. 148-155.

Published online: 2014-05

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  • 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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@Article{JAMS-5-148, author = {Zhang , QiangCao , MaoqiShan , XiaobinLi , YuquanWang , Zhenya and Sheng , Liusi}, title = {Study on $H_3^+$ Formation by Synchrotron Radiation}, journal = {Journal of Atomic and Molecular Sciences}, year = {2014}, volume = {5}, number = {2}, pages = {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.

}, issn = {2079-7346}, doi = {https://doi.org/10.4208/jams.042813.070213a}, url = {http://global-sci.org/intro/article_detail/jams/8319.html} }
TY - JOUR T1 - Study on $H_3^+$ Formation by Synchrotron Radiation AU - Zhang , Qiang AU - Cao , Maoqi AU - Shan , Xiaobin AU - Li , Yuquan AU - Wang , Zhenya AU - Sheng , Liusi JO - Journal of Atomic and Molecular Sciences VL - 2 SP - 148 EP - 155 PY - 2014 DA - 2014/05 SN - 5 DO - http://doi.org/10.4208/jams.042813.070213a UR - https://global-sci.org/intro/article_detail/jams/8319.html KW - $H^+_3$, photoionization, synchrotron radiation, ab initio calculation. AB -

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.

Zhang , QiangCao , MaoqiShan , XiaobinLi , YuquanWang , Zhenya and Sheng , Liusi. (2014). Study on $H_3^+$ Formation by Synchrotron Radiation. Journal of Atomic and Molecular Sciences. 5 (2). 148-155. doi:10.4208/jams.042813.070213a
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