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

  1. Gao-Lei Hou1,2,
  2. Hui Wen1,
  3. Dr. Kenneth Lopata3,
  4. Dr. Wei-Jun Zheng2,
  5. Dr. Karol Kowalski3,
  6. Dr. Niranjan Govind3,
  7. Dr. Xue-Bin Wang1,*,
  8. Dr. Sotiris S. Xantheas1,*

Article first published online: 8 MAY 2012

DOI: 10.1002/ange.201201959

Issue

Angewandte Chemie

Angewandte Chemie

Volume 124, Issue 26, pages 6462–6466, June 25, 2012

Additional Information

How to Cite

Hou, G.-L., Wen, H., Lopata, K., Zheng, W.-J., Kowalski, K., Govind, N., Wang, X.-B. and Xantheas, S. S. (2012), A Combined Gas-Phase Photoelectron Spectroscopic and Theoretical Study of Zeise’s Anion and Its Bromine and Iodine Analogues. Angew. Chem., 124: 6462–6466. doi: 10.1002/ange.201201959

Author Information

  1. 1

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

  2. 2

    Beijing National Laboratory for Molecular Sciences, State Key Laboratory of Molecular Reaction Dynamics, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190 (China)

  3. 3

    Environmental Molecular Sciences Laboratory, 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)

  1. †

    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.

Publication History

  1. Issue published online: 21 JUN 2012
  2. Article first published online: 8 MAY 2012
  3. Manuscript Received: 12 MAR 2012

Funded by

  • Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy (DOE)

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Keywords:

  • Ab-initio-Rechnungen;
  • Angeregte Zustände;
  • Organometallverbindungen;
  • Photoelektronenspektroskopie;
  • Zeise-Anion
Thumbnail image of graphical abstract

Licht auf Zeise: In einer Studie des Zeise-Anions, [PtCl3(C2H4)]−, und seiner Brom- und Iodanaloga werden aus spektralen Merkmalen abgeleitete Informationen über die elektronische Struktur der Spezies mithilfe von Coupled-Cluster-Rechnungen zugeordnet. Den Rechnungen zufolge nimmt die Elektronenbindungsenergie mit der Halogengröße ab und gibt es eine synergistische η2-Wechselwirkung zwischen C2H4 und den PtX3−-Anionen.

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