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学科主题: 物理化学
题名: Structural Evolution of Homoleptic Heterodinuclear Copper-Nickel Carbonyl Anions Revealed Using Photoelectron Velocity-Map Imaging
作者: Liu, Zhiling1;  Xie, Hua1;  Qin, Zhengbo1;  Fan, Hongjun1;  Tang, Zichao1
通讯作者: 唐紫超
刊名: INORGANIC CHEMISTRY
发表日期: 2014-10-20
DOI: 10.1021/ic501070u
卷: 53, 期:20, 页:10909-10916
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Inorganic & Nuclear
研究领域[WOS]: Chemistry
英文摘要: The homoleptic heterodinuclear copper-nickel carbonyl anions CuNi(CO)(n)(-) (n = 2-4) were generated in a pulsed-laser vaporization source and investigated using photoelectron velocity-map imaging spectroscopy. The electron affinities of CuNi(CO)(2) (2.15 +/- 0.03 eV), CuNi(CO)(3) (2.30 +/- 0.03 eV), and CuNi(CO)(4) (1.90 +/- 0.04 eV) were deduced from the photoelectron spectra. Theoretical calculations at the B3LYP level were carried out to elucidate the structures and the electronic properties of CuNi(CO)(n)(0/1-) (n = 1-4) and to support the experimental observations. Comprehensive comparisons between experiments and calculations suggest that there is a turnover point of the absorption site during the progressive carbonylation process. The carbonyl groups are determined to be preferentially bonded to the nickel atom. When the nickel center satisfies the 18-electron configuration, the copper atom starts to adsorb additional CO molecules. These results will shed light on the bonding mechanisms of the heterometallic carbonyl clusters.
关键词[WOS]: INFRARED PHOTODISSOCIATION SPECTROSCOPY ;  DENSITY-FUNCTIONAL CALCULATIONS ;  COLLISION-INDUCED DISSOCIATION ;  SEQUENTIAL BOND-ENERGIES ;  METAL CLUSTER ANIONS ;  GAS-PHASE ;  PLATINUM MONOCARBONYL ;  BASIS-SETS ;  SPECTRA ;  ATOMS
语种: 英语
WOS记录号: WOS:000343527700019
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/144415
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, State Key Lab Mol React Dynam, Dalian Inst Chem Phys, Dalian 116023, Peoples R China

Recommended Citation:
Liu, Zhiling,Xie, Hua,Qin, Zhengbo,et al. Structural Evolution of Homoleptic Heterodinuclear Copper-Nickel Carbonyl Anions Revealed Using Photoelectron Velocity-Map Imaging[J]. INORGANIC CHEMISTRY,2014,53(20):10909-10916.
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