Dissociation of [HCCH]2+ to H2 + and C2 + : a benchmark reaction involving H migration, H-H combination, and C-H bond cleavage

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review

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Author(s)

  • Shenyue Xu
  • Xiaolong Zhu
  • Dalong Guo
  • Wentian Feng
  • Xinwen Ma

Related Research Unit(s)

Detail(s)

Original languageEnglish
Pages (from-to)27725-27729
Journal / PublicationPhysical Chemistry Chemical Physics
Volume20
Issue number44
Online published1 Nov 2018
Publication statusPublished - 28 Nov 2018

Abstract

We report the formation of H2 + and C2 + from dissociation of acetylene induced by α-particle irradiation. The unusual dissociation channel [C2H2]2+ → H2 + + C2 + is unambiguously identified by measuring the time-of-flight of both fragmented ions in coincidence. Our quantum chemical calculation confirms the existence of this dissociation pathway. It shows that [HCCH]2+ is firstly populated to the 3Π excited electronic state, followed by acetylene-vinylidene isomerization, and finally the vinylidene-like intermediate dissociates to H2 + and C2 +. This dissociation channel is the simplest prototypical reaction involving H migration, H-H combination, and C-H bond cleavage. The current study plays an important role for understanding the H2 +/H3 + formation reactions from organic di-cations in an interstellar medium.

Citation Format(s)

Dissociation of [HCCH]2+ to H2 + and C2 + : a benchmark reaction involving H migration, H-H combination, and C-H bond cleavage. / Xu, Shenyue; Zhao, Hongyan; Zhu, Xiaolong; Guo, Dalong; Feng, Wentian; Lau, Kai-Chung; Ma, Xinwen.

In: Physical Chemistry Chemical Physics, Vol. 20, No. 44, 28.11.2018, p. 27725-27729.

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review