Experimental and theoretical studies of diatomic gold halides

  • J. Reuben Brown
  • Peter Schwerdtfeger
  • Detlef Schröder
  • Helmut Schwarz
Focus: Ion Thermochemistry

Abstract

The diatomic gold halides AuX are studied by means of Fourier-transform ion cyclotron resonance mass spectroscopy and ab initio theory at a quasi-relativistic CCSD(T) level of theory. A thermokinetic approach is used to determine the bond-dissociation energies of neutral AuCl, AuBr, and AuI as well as cationic AuI+, i.e., D0(Au-Cl) = 66 ± 3 kcal/mol, D0(Au-Br) = 50 ± 5 kcal/mol, as well as the brackets 52 kcal/mol < D0(Au-I) < 64 kcal/mol and 54 kcal/mol < D0(Au+-I) < 66 kcal/mol at 0 K. These values allow an evaluation of previous experimental and theoretical data concerning diatomic gold halides.

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Copyright information

© American Society for Mass Spectrometry 2002

Authors and Affiliations

  • J. Reuben Brown
    • 1
  • Peter Schwerdtfeger
    • 1
  • Detlef Schröder
    • 2
  • Helmut Schwarz
    • 2
  1. 1.Department of ChemistryUniversity of AucklandAucklandNew Zealand
  2. 2.Institut für Chemie der Technischen Universität BerlinBerlinGermany

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