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

	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
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.
WOS标题词	science & technology ; physical sciences ; technology
类目[WOS]	physics, atomic, molecular & chemical ; spectroscopy
研究领域[WOS]	physics ; spectroscopy
关键词[WOS]	flight mass-spectrometer ; photofragmentation spectroscopy ; charge-transfer ; ion chemistry ; pi-complexes ; gas-phase ; ethylene ; metal ; density ; hydrogenation
收录类别	SCI
语种	英语
WOS记录号	WOS:000281919300006
公开日期	2015-11-17
内容类型	期刊论文
源URL	[http://159.226.238.44/handle/321008/142214]
专题	大连化学物理研究所_中国科学院大连化学物理研究所
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.