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题名: Photodissociation and DFT investigation of V+(C2H4)(n) (n=1-3) complexes
作者: Yuan, Jinyun1;  Zhang, Zeng-Guang1;  Zhao, Yuchao1;  Hou, Gao-Lei1;  Xu, Hong-Guang1;  Zheng, Weijun1
关键词: Mass spectrometry ;  Mass-selection ;  Photodissociation ;  Vanadium-ethene complex
刊名: INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
发表日期: 2010-07-15
DOI: 10.1016/j.ijms.2010.06.018
卷: 295, 期:1-2, 页:36-42
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences ;  Technology
类目[WOS]: Physics, Atomic, Molecular & Chemical ;  Spectroscopy
研究领域[WOS]: Physics ;  Spectroscopy
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.
关键词[WOS]: FLIGHT MASS-SPECTROMETER ;  PHOTOFRAGMENTATION SPECTROSCOPY ;  CHARGE-TRANSFER ;  ION CHEMISTRY ;  PI-COMPLEXES ;  GAS-PHASE ;  ETHYLENE ;  METAL ;  DENSITY ;  HYDROGENATION
语种: 英语
WOS记录号: WOS:000281919300006
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/142214
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Chinese Acad Sci, Inst Chem, Beijing Natl Lab Mol Sci, State Key Lab Mol React Dynam, Beijing 100190, Peoples R China

Recommended Citation:
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.
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