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The ion-pair character of the B[formula omitted] state of CuAg.

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Title: The ion-pair character of the B[formula omitted] state of CuAg.
Authors: Zhang, Qiang1 (AUTHOR), Jin, Jiaye1 (AUTHOR), Bornhauser, Peter1 (AUTHOR), Knopp, Gregor1 (AUTHOR), Radi, Peter P.1 (AUTHOR) peter.radi@psi.ch
Source: Journal of Molecular Spectroscopy. Jul2020, Vol. 372, pN.PAG-N.PAG. 1p.
Subjects: Molecular spectroscopy, Laser-induced fluorescence, Molecular beams, Isotopologues, Fluorescence spectroscopy, Metal-metal bonds, Four-wave mixing
Abstract: • Rotationally resolved spectroscopy of CuAg in a molecular beam by four-wave mixing and fluorescence measurements. • Determination of accurate molecular constants of the B state for four isotopologues. • Identification of the B state as an Ω = 0+ ion-pair state. • Contribution of charge-transfer states to the bond of coinage metal dimers. In order to obtain fundamental insight into the bonding properties of transition metals, the ( v ′ ,0) B-X transitions ( v ′ = 0 - 2) of the heteronuclear CuAg dimer are re-investigated by applying non-linear four-wave mixing and laser-induced fluorescence spectroscopy. The CuAg molecules in a molecular beam are produced by laser ablation of a Cu/Ag alloy target. Rotationally resolved spectra of the B-X transition are recorded. The measurements yield accurate molecular constants for four isotopologues and an equilibrium distance r e = 2.4577 ± 0.0003 Å for the B state. In particular, the B state is identified as an Ω = 0 + ion-pair state. The results corroborate the important contribution of the charge-transfer state to the metal–metal bond. The results are in good agreement with the recent calculations at the MRCI level of theory (Alizadeh et al., 2014). [ABSTRACT FROM AUTHOR]
Copyright of Journal of Molecular Spectroscopy is the property of Academic Press Inc. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
Database: Engineering Source
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Header DbId: egs
DbLabel: Engineering Source
An: 145412894
AccessLevel: 6
PubType: Academic Journal
PubTypeId: academicJournal
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  Data: The ion-pair character of the B[formula omitted] state of CuAg.
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  Data: <searchLink fieldCode="AR" term="%22Zhang%2C+Qiang%22">Zhang, Qiang</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Jin%2C+Jiaye%22">Jin, Jiaye</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Bornhauser%2C+Peter%22">Bornhauser, Peter</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Knopp%2C+Gregor%22">Knopp, Gregor</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Radi%2C+Peter+P%2E%22">Radi, Peter P.</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> peter.radi@psi.ch</i>
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  Data: <searchLink fieldCode="JN" term="%22Journal+of+Molecular+Spectroscopy%22">Journal of Molecular Spectroscopy</searchLink>. Jul2020, Vol. 372, pN.PAG-N.PAG. 1p.
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  Data: <searchLink fieldCode="DE" term="%22Molecular+spectroscopy%22">Molecular spectroscopy</searchLink><br /><searchLink fieldCode="DE" term="%22Laser-induced+fluorescence%22">Laser-induced fluorescence</searchLink><br /><searchLink fieldCode="DE" term="%22Molecular+beams%22">Molecular beams</searchLink><br /><searchLink fieldCode="DE" term="%22Isotopologues%22">Isotopologues</searchLink><br /><searchLink fieldCode="DE" term="%22Fluorescence+spectroscopy%22">Fluorescence spectroscopy</searchLink><br /><searchLink fieldCode="DE" term="%22Metal-metal+bonds%22">Metal-metal bonds</searchLink><br /><searchLink fieldCode="DE" term="%22Four-wave+mixing%22">Four-wave mixing</searchLink>
– Name: Abstract
  Label: Abstract
  Group: Ab
  Data: • Rotationally resolved spectroscopy of CuAg in a molecular beam by four-wave mixing and fluorescence measurements. • Determination of accurate molecular constants of the B state for four isotopologues. • Identification of the B state as an Ω = 0+ ion-pair state. • Contribution of charge-transfer states to the bond of coinage metal dimers. In order to obtain fundamental insight into the bonding properties of transition metals, the ( v ′ ,0) B-X transitions ( v ′ = 0 - 2) of the heteronuclear CuAg dimer are re-investigated by applying non-linear four-wave mixing and laser-induced fluorescence spectroscopy. The CuAg molecules in a molecular beam are produced by laser ablation of a Cu/Ag alloy target. Rotationally resolved spectra of the B-X transition are recorded. The measurements yield accurate molecular constants for four isotopologues and an equilibrium distance r e = 2.4577 ± 0.0003 Å for the B state. In particular, the B state is identified as an Ω = 0 + ion-pair state. The results corroborate the important contribution of the charge-transfer state to the metal–metal bond. The results are in good agreement with the recent calculations at the MRCI level of theory (Alizadeh et al., 2014). [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Journal of Molecular Spectroscopy is the property of Academic Press Inc. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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RecordInfo BibRecord:
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      – Type: doi
        Value: 10.1016/j.jms.2020.111326
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      – Code: eng
        Text: English
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      – SubjectFull: Molecular spectroscopy
        Type: general
      – SubjectFull: Laser-induced fluorescence
        Type: general
      – SubjectFull: Molecular beams
        Type: general
      – SubjectFull: Isotopologues
        Type: general
      – SubjectFull: Fluorescence spectroscopy
        Type: general
      – SubjectFull: Metal-metal bonds
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      – SubjectFull: Four-wave mixing
        Type: general
    Titles:
      – TitleFull: The ion-pair character of the B[formula omitted] state of CuAg.
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            NameFull: Zhang, Qiang
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            NameFull: Jin, Jiaye
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            NameFull: Bornhauser, Peter
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            NameFull: Knopp, Gregor
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            NameFull: Radi, Peter P.
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            – D: 01
              M: 07
              Text: Jul2020
              Type: published
              Y: 2020
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              Value: 372
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