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

doi:10.1039/c8cp05780j

	Dissociation of [HCCH](2+) to H-2(+) and C-2(+): a benchmark reaction involving H migration, H-H combination, and C-H bond cleavage
	Xu, Shenyue1,2 ; Zhao, Hongyan 3; Zhu, Xiaolong1 ; Guo, Dalong 1; Feng, Wentian1 ; Lau, Kai-Chung 3; Ma, Xinwen1
刊名	PHYSICAL CHEMISTRY CHEMICAL PHYSICS
	2018-11-28
卷号	20 页码:27725-27729
ISSN号	1463-9076
DOI	10.1039/c8cp05780j
英文摘要	We report the formation of H-2(+) and C-2(+) from dissociation of acetylene induced by -particle irradiation. The unusual dissociation channel [C2H2](2+) H-2(+) + C-2(+) 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 (3) excited electronic state, followed by acetylene-vinylidene isomerization, and finally the vinylidene-like intermediate dissociates to H-2(+) and C-2(+). 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 H-2(+)/H-3(+) formation reactions from organic di-cations in an interstellar medium.
资助项目	China Post-Doctoral Science Foundation[2017M613100]
WOS关键词	QUADRATIC STEEPEST DESCENT ; POTENTIAL-ENERGY SURFACES ; MOMENTUM SPECTROSCOPY ; RECOIL-ION
WOS研究方向	Chemistry ; Physics
语种	英语
出版者	ROYAL SOC CHEMISTRY
WOS记录号	WOS:000450660400001
内容类型	期刊论文
源URL	[http://119.78.100.186/handle/113462/64444]
专题	中国科学院近代物理研究所
通讯作者	Xu, Shenyue; Lau, Kai-Chung; Ma, Xinwen
作者单位	1.Chinese Acad Sci, Inst Modern Phys, Nanchang Rd 509, Lanzhou 730000, Gansu, Peoples R China 2.Xi An Jiao Tong Univ, Sch Sci, Xianning West Rd 28, Xian 710049, Shaanxi, Peoples R China 3.City Univ Hong Kong, Dept Chem, Tat Chee Ave, Kowloon Tong, Hong Kong, Peoples R China
推荐引用方式 GB/T 7714	Xu, Shenyue,Zhao, Hongyan,Zhu, Xiaolong,et al. Dissociation of [HCCH](2+) to H-2(+) and C-2(+): a benchmark reaction involving H migration, H-H combination, and C-H bond cleavage[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2018,20:27725-27729.
APA	Xu, Shenyue.,Zhao, Hongyan.,Zhu, Xiaolong.,Guo, Dalong.,Feng, Wentian.,...&Ma, Xinwen.(2018).Dissociation of [HCCH](2+) to H-2(+) and C-2(+): a benchmark reaction involving H migration, H-H combination, and C-H bond cleavage.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,20,27725-27729.
MLA	Xu, Shenyue,et al."Dissociation of [HCCH](2+) to H-2(+) and C-2(+): a benchmark reaction involving H migration, H-H combination, and C-H bond cleavage".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20(2018):27725-27729.