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Issue 25, 2013
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Infrared photodissociation spectra of mass selected homoleptic nickel carbonyl cluster cations in the gas phase

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Abstract

Infrared spectra of mass-selected homoleptic nickel carbonyl cluster cations including dinuclear Ni2(CO)7+ and Ni2(CO)8+, trinuclear Ni3(CO)9+ and tetranuclear Ni4(CO)11+ are measured via infrared photodissociation spectroscopy in the carbonyl stretching frequency region. The structures are established by comparison of the experimental spectra with simulated spectra derived from density functional calculations. The Ni2(CO)7+ cation is characterized to have an unbridged asymmetric (OC)4Ni–Ni(CO)3+ structure with a Ni–Ni single bond. The Ni2(CO)8+ cation has a Ni–Ni half-bonded D3d structure with both nickel centers exhibiting an 18-electron configuration. The trinuclear Ni3(CO)9+ cluster cation is determined to have an open chain like (OC)4Ni–NiCO–Ni(CO)4 structure. The tetranuclear Ni4(CO)11+ cluster cation is determined to have a tetrahedral structure with two-center and three-center bridge-bonded carbonyl units. These nickel carbonyl cluster cations all involve trigonal pyramid like Ni(CO)4 building blocks that satisfy the 18-electron configuration of the nickel centers.

Graphical abstract: Infrared photodissociation spectra of mass selected homoleptic nickel carbonyl cluster cations in the gas phase

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Publication details

The article was received on 19 Dec 2012, accepted on 01 Feb 2013 and first published on 04 Feb 2013


Article type: Paper
DOI: 10.1039/C3CP44588G
Phys. Chem. Chem. Phys., 2013,15, 10224-10232

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    Infrared photodissociation spectra of mass selected homoleptic nickel carbonyl cluster cations in the gas phase

    J. Cui, G. Wang, X. Zhou, C. Chi, Z. Hua Li, Z. Liu and M. Zhou, Phys. Chem. Chem. Phys., 2013, 15, 10224
    DOI: 10.1039/C3CP44588G

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