DICP OpenIR
Subject Area物理化学
Structural Evolution of Homoleptic Heterodinuclear Copper-Nickel Carbonyl Anions Revealed Using Photoelectron Velocity-Map Imaging
Liu, Zhiling; Xie, Hua; Qin, Zhengbo; Fan, Hongjun; Tang, Zichao; Tang ZC(唐紫超)
Source PublicationINORGANIC CHEMISTRY
2014-10-20
DOI10.1021/ic501070u
Volume53Issue:20Pages:10909-10916
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences
WOS SubjectChemistry, Inorganic & Nuclear
WOS Research AreaChemistry
WOS KeywordINFRARED PHOTODISSOCIATION SPECTROSCOPY ; DENSITY-FUNCTIONAL CALCULATIONS ; COLLISION-INDUCED DISSOCIATION ; SEQUENTIAL BOND-ENERGIES ; METAL CLUSTER ANIONS ; GAS-PHASE ; PLATINUM MONOCARBONYL ; BASIS-SETS ; SPECTRA ; ATOMS
AbstractThe 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.
Language英语
WOS IDWOS:000343527700019
Citation statistics
Cited Times:14[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/144415
Collection中国科学院大连化学物理研究所
Corresponding AuthorTang ZC(唐紫超)
AffiliationChinese Acad Sci, State Key Lab Mol React Dynam, Dalian Inst Chem Phys, Dalian 116023, Peoples R China
Recommended Citation
GB/T 7714
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.
APA Liu, Zhiling,Xie, Hua,Qin, Zhengbo,Fan, Hongjun,Tang, Zichao,&唐紫超.(2014).Structural Evolution of Homoleptic Heterodinuclear Copper-Nickel Carbonyl Anions Revealed Using Photoelectron Velocity-Map Imaging.INORGANIC CHEMISTRY,53(20),10909-10916.
MLA Liu, Zhiling,et al."Structural Evolution of Homoleptic Heterodinuclear Copper-Nickel Carbonyl Anions Revealed Using Photoelectron Velocity-Map Imaging".INORGANIC CHEMISTRY 53.20(2014):10909-10916.
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