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Related Experiment Videos

XeAuF.

Stephen A Cooke1, Michael C L Gerry

  • 1Department of Chemistry, The University of British Columbia, 2036 Main Mall, Vancouver, B.C., Canada V6T 1Z1. sacooke@chem.ubc.ca

Journal of the American Chemical Society
|December 23, 2004
PubMed
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Researchers detected and characterized Xenon Gold Fluoride (XeAuF) using microwave spectroscopy. This study confirms a linear, rigid molecule with strong covalent bonding between Xenon and Gold.

Area of Science:

  • Physical Chemistry
  • Spectroscopy
  • Inorganic Chemistry

Background:

  • Noble gas compounds, particularly those involving heavier noble gases like Xenon, are of significant interest due to their unusual bonding characteristics.
  • Understanding the interactions between noble gases and transition metals is crucial for advancing chemical bonding theories.
  • Previous studies on gold-containing molecules provide a basis for comparison with the newly synthesized XeAuF.

Purpose of the Study:

  • To detect and characterize the novel molecule Xenon Gold Fluoride (XeAuF) using advanced spectroscopic techniques.
  • To elucidate the molecular structure, bonding, and stability of XeAuF.
  • To investigate the nature of the Xenon-Gold interaction and compare it with existing models of chemical bonding.

Main Methods:

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  • Synthesis of XeAuF via laser ablation of Gold (Au) in the presence of Xenon (Xe) and Sulfur Hexafluoride (SF6).
  • Stabilization of the molecule in a supersonic jet of Argon (Ar).
  • High-resolution microwave rotational spectroscopy using a cavity pulsed jet Fourier transform microwave spectrometer (frequency range 6-26 GHz).

Main Results:

  • Successful detection and characterization of XeAuF, confirming its existence as a linear and rigid molecule.
  • Determination of key molecular parameters: rotational constants, centrifugal distortion constants, and nuclear quadrupole coupling constants for (131)Xe and (197)Au.
  • Identification of a short Xe-Au bond (2.54 Å) and a large (131)Xe nuclear quadrupole coupling constant (-135 MHz), indicative of strong covalent bonding.

Conclusions:

  • The experimental and computational data strongly support the presence of covalent bonding between Xenon and Gold in XeAuF.
  • The (197)Au nuclear quadrupole coupling constant significantly differs from that of uncomplexed AuF, highlighting the unique electronic environment in XeAuF.
  • Ab initio calculations corroborate the experimental findings, predicting a Xe-Au bond dissociation energy of approximately 100 kJ mol(-1) and providing insights into valence orbital populations and energy distribution.