Infrared Photodissociation Spectra of Mass-Selected Homoleptic Dinuclear Palladium Carbonyl Cluster Cations in the Gas Phase

Authors

  • Jieming Cui,

    1. Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysts and Innovative Materials, Fudan University, Shanghai 200433, China
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  • Xiaopeng Xing,

    1. Graduate University of Chinese Academy of Sciences, College of Materials Sciences and Opto-Electronic Technology, Beijing 100049, China
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  • Chaoxian Chi,

    1. Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysts and Innovative Materials, Fudan University, Shanghai 200433, China
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  • Guanjun Wang,

    1. Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysts and Innovative Materials, Fudan University, Shanghai 200433, China
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  • Zhipan Liu,

    Corresponding author
    1. Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysts and Innovative Materials, Fudan University, Shanghai 200433, China
    • Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysts and Innovative Materials, Fudan University, Shanghai 200433, China
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  • Mingfei Zhou

    Corresponding author
    1. Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysts and Innovative Materials, Fudan University, Shanghai 200433, China
    • Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysts and Innovative Materials, Fudan University, Shanghai 200433, China
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Abstract

Infrared spectra of mass-selected homoleptic dinuclear palladium carbonyl cluster cations Pd2(CO)n+ (n=5–8) 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 Pd2(CO)5+ cation is characterized to have two weakly semibridging CO groups with C2 symmetry. The Pd2(CO)6+ and Pd2(CO)7+ cations are determined to involve one weakly semibridging CO group. The Pd2(CO)8+ cation is a CO coordination saturated cluster, which is determined to have a D2d structure with all of the carbonyl groups terminally bonded. Bonding analysis indicates that these cluster cations each has a Pd[BOND]Pd half bond. The Pd[BOND]Pd distance increases with the number of CO ligands.

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