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 journalArticle

17 Citations (Scopus)

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

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Sulfides
Excited states
Gold
sulfides
gold
Laser excitation
Crystal symmetry
Bond length
Molecular orbitals
Ground state
excitation
Gases
configurations
progressions
electronic spectra
molecular orbitals
diagrams
dissociation
vapor phases
harmonics

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

Au-S Bonding Revealed from the Characterization of Diatomic Gold Sulfide, AuS. / Kokkin, Damian L.; Zhang, Ruohan; Steimle, Timothy; Wyse, Ian A.; Pearlman, Bradley W.; Varberg, Thomas D.

In: Journal of Physical Chemistry A, Vol. 119, No. 48, 03.12.2015, p. 11659-11667.

Research output: Contribution to journalArticle

Kokkin, Damian L. ; Zhang, Ruohan ; Steimle, Timothy ; Wyse, Ian A. ; Pearlman, Bradley W. ; Varberg, Thomas D. / Au-S Bonding Revealed from the Characterization of Diatomic Gold Sulfide, AuS. In: Journal of Physical Chemistry A. 2015 ; Vol. 119, No. 48. pp. 11659-11667.
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AB - 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.

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