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

doi:10.1021/acs.jpca.5b08781

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

Molecular Sciences, School of (SMS)

Research output: Contribution to journal › Article › peer-review

33 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 C²π_i 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 language	English (US)
Pages (from-to)	11659-11667
Number of pages	9
Journal	Journal of Physical Chemistry A
Volume	119
Issue number	48
DOIs	https://doi.org/10.1021/acs.jpca.5b08781
State	Published - Dec 3 2015

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Physical and Theoretical Chemistry

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

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) {\AA} 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.",

author = "Kokkin, {Damian L.} and Ruohan Zhang and Timothy Steimle and Wyse, {Ian A.} and Pearlman, {Bradley W.} and Varberg, {Thomas D.}",

note = "Publisher Copyright: {\textcopyright} 2015 American Chemical Society.",

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doi = "10.1021/acs.jpca.5b08781",

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T1 - Au-S Bonding Revealed from the Characterization of Diatomic Gold Sulfide, AuS

AU - Kokkin, Damian L.

AU - Zhang, Ruohan

AU - Steimle, Timothy

AU - Wyse, Ian A.

AU - Pearlman, Bradley W.

AU - Varberg, Thomas D.

PY - 2015/12/3

Y1 - 2015/12/3

N2 - 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.

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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JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

IS - 48

ER -

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

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