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A Combined Gas-Phase Photoelectron Spectroscopic and Theoretical Study of Zeise’s Anion and Its Bromine and Iodine Analogues

Authors

  • Gao-Lei Hou,

    1. Chemical & Materials Sciences Division, Pacific Northwest National Laboratory, P.O. Box 999, Richland, Washington 99352 (USA)
    2. Beijing National Laboratory for Molecular Sciences, State Key Laboratory of Molecular Reaction Dynamics, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190 (China)
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  • Hui Wen,

    1. Chemical & Materials Sciences Division, Pacific Northwest National Laboratory, P.O. Box 999, Richland, Washington 99352 (USA)
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  • Dr. Kenneth Lopata,

    1. Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, P. O. Box 999, Richland, Washington 99352 (USA)
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  • Dr. Wei-Jun Zheng,

    1. Beijing National Laboratory for Molecular Sciences, State Key Laboratory of Molecular Reaction Dynamics, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190 (China)
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  • Dr. Karol Kowalski,

    1. Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, P. O. Box 999, Richland, Washington 99352 (USA)
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  • Dr. Niranjan Govind,

    1. Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, P. O. Box 999, Richland, Washington 99352 (USA)
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  • Dr. Xue-Bin Wang,

    Corresponding author
    1. Chemical & Materials Sciences Division, Pacific Northwest National Laboratory, P.O. Box 999, Richland, Washington 99352 (USA)
    • Chemical & Materials Sciences Division, Pacific Northwest National Laboratory, P.O. Box 999, Richland, Washington 99352 (USA)
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  • Dr. Sotiris S. Xantheas

    Corresponding author
    1. Chemical & Materials Sciences Division, Pacific Northwest National Laboratory, P.O. Box 999, Richland, Washington 99352 (USA)
    • Chemical & Materials Sciences Division, Pacific Northwest National Laboratory, P.O. Box 999, Richland, Washington 99352 (USA)
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  • This work was supported by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy (DOE). Part of this work was performed at the Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by DOE’s Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory, which is operated by Battelle Memorial Institute for the DOE. K.L. acknowledges the Wiley Postdoctoral fellowship from EMSL.

Abstract

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Shining light on Zeise: In a study of Zeise's anion, [PtCl3(C2H4)], and its bromine and iodine analogues, electronic structure information for each species, derived from spectral features, is assigned through calculations at the coupled cluster level of theory. The calculations indicate that the electron binding energies decrease with halogen size and that there is a synergistic η2 interaction between C2H4 and the PtX3 anions.

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