Photodissociation and DFT investigation of V+(C2H4)(n) (n=1-3) complexes

doi:10.1016/j.ijms.2010.06.018

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	Photodissociation and DFT investigation of V+(C2H4)(n) (n=1-3) complexes
	Yuan, Jinyun; Zhang, Zeng-Guang; Zhao, Yuchao; Hou, Gao-Lei; Xu, Hong-Guang; Zheng, Weijun
刊名	INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
	2010-07-15
卷号	295 期号:1-2 页码:36-42
关键词	Mass Spectrometry Mass-selection Photodissociation Vanadium-ethene Complex
ISSN号	1387-3806
DOI	10.1016/j.ijms.2010.06.018
英文摘要	V+(C2H4)(n) were produced in a supersonic molecular beam by laser vaporization and were mass-analyzed with a reflectron time-of-flight mass spectrometer. V(C2H4)(n) (n = 1-3) are predominant mass peaks in the mass spectrum. These species were mass-selected and photodissociated with 1064, 532 and 355 nm photons. Dissociation occurs by elimination of neutral ethene molecules. The fragment ion yields were studied as a function of photon fluxes in order to give insight into the dissociation mechanisms. The geometric structures, bond dissociation energies and ground electronic state of V(C2H4)(n) (n = 1-4) were investigated using density functional theory (DFT). It has been confirmed that the most stable structures of V+(C2H4)(n) are all in quintet states. (C) 2010 Elsevier B.V. All rights reserved.
语种	英语
出版者	ELSEVIER SCIENCE BV
WOS记录号	WOS:000281919300006
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/71019]
专题	中国科学院化学研究所
通讯作者	Zheng, Weijun
作者单位	Chinese Acad Sci, Inst Chem, Beijing Natl Lab Mol Sci, State Key Lab Mol React Dynam, Beijing 100190, Peoples R China
推荐引用方式 GB/T 7714	Yuan, Jinyun,Zhang, Zeng-Guang,Zhao, Yuchao,et al. Photodissociation and DFT investigation of V+(C2H4)(n) (n=1-3) complexes[J]. INTERNATIONAL JOURNAL OF MASS SPECTROMETRY,2010,295(1-2):36-42.
APA	Yuan, Jinyun,Zhang, Zeng-Guang,Zhao, Yuchao,Hou, Gao-Lei,Xu, Hong-Guang,&Zheng, Weijun.(2010).Photodissociation and DFT investigation of V+(C2H4)(n) (n=1-3) complexes.INTERNATIONAL JOURNAL OF MASS SPECTROMETRY,295(1-2),36-42.
MLA	Yuan, Jinyun,et al."Photodissociation and DFT investigation of V+(C2H4)(n) (n=1-3) complexes".INTERNATIONAL JOURNAL OF MASS SPECTROMETRY 295.1-2(2010):36-42.