Dissociation of [HCCH](2+) to H-2(+) and C-2(+): a benchmark reaction involving H migration, H-H combination, and C-H bond cleavage
文献类型：期刊论文
| 作者 | Xu, Shenyue1,2 ; Zhao, Hongyan3; Zhu, Xiaolong1; Guo, Dalong1; Feng, Wentian1; Lau, Kai-Chung3; Ma, Xinwen1
|
| 刊名 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS
 |
| 出版日期 | 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. |
| WOS关键词 | QUADRATIC STEEPEST DESCENT ; POTENTIAL-ENERGY SURFACES ; MOMENTUM SPECTROSCOPY ; RECOIL-ION |
| 资助项目 | China Post-Doctoral Science Foundation[2017M613100] |
| WOS研究方向 | Chemistry ; Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000450660400001 |
| 出版者 | ROYAL SOC CHEMISTRY |
| 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. |
入库方式： OAI收割
来源：近代物理研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。