Au-S Bonding Revealed from the Characterization of Diatomic Gold Sulfide, AuS

Damian L. Kokkin, Ruohan Zhang, Timothy Steimle, Ian A. Wyse, Bradley W. Pearlman, Thomas D. Varberg

Research output: Contribution to journalArticlepeer-review

23 Scopus citations

Abstract

Gold monosulfide, AuS, has been detected and characterized in the gas phase using optical spectroscopy. The symmetries of the ground and low-lying electronic excited states have been determined by application of a synergy of hot and cold laser excitation techniques. The electronic spectra are assigned to progressions in four band systems associated with excitations from the X2π i ((2σ)2(2σ)3) ground state to the A2π+ state arising from the (2σ)1(2σ)4 configuration and to the a4π-, B2π-, and C2πi states arising from the (2σ)2(2σ)2(3σ∗)1 configuration. The bond length and dissociation energy of the ground X2π i state are determined to be 2.156(2) Å and 298 ± 2 kJ/mol, respectively. A molecular orbital correlation diagram is used to rationalize the energy ordering of the excited states and the associated harmonic frequencies.

Original languageEnglish (US)
Pages (from-to)11659-11667
Number of pages9
JournalJournal of Physical Chemistry A
Volume119
Issue number48
DOIs
StatePublished - Dec 3 2015

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

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