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Issue 44, 2018
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Dissociation of [HCCH]2+ to H2+ and C2+: a benchmark reaction involving H migration, H–H combination, and C–H bond cleavage

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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.

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

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Publication details

The article was received on 13 Sep 2018, accepted on 22 Oct 2018 and first published on 01 Nov 2018


Article type: Communication
DOI: 10.1039/C8CP05780J
Citation: Phys. Chem. Chem. Phys., 2018,20, 27725-27729
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    Dissociation of [HCCH]2+ to H2+ and C2+: a benchmark reaction involving H migration, H–H combination, and C–H bond cleavage

    S. Xu, H. Zhao, X. Zhu, D. Guo, W. Feng, K. Lau and X. Ma, Phys. Chem. Chem. Phys., 2018, 20, 27725
    DOI: 10.1039/C8CP05780J

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