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Rovibrational Characterization of High-Lying Electronic States of Cu2 by Double-Resonant Nonlinear Spectroscopy.

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Title: Rovibrational Characterization of High-Lying Electronic States of Cu2 by Double-Resonant Nonlinear Spectroscopy.
Authors: Beck, M.1, Visser, B.1, Bornhauser, P.1, Knopp, G.1, van Bokhoven, J. A.2,3, Radi, P. P.1 peter.radi@psi.ch
Source: Journal of Physical Chemistry A. 11/9/2017, Vol. 121 Issue 44, p8448-8452. 5p.
Subjects: Copper compounds, Transition metals, Excited states, Gas phase reactions, Electron configuration, Molecular orbitals
Abstract: The available knowledge of the electronically excited states of the copper dimer is limited. This is common for transition metals, as the high density of states hinders both experimental assignment and computation. In this work, two-color resonant four-wave mixing spectroscopy was applied to neutral Cu2 in the gas phase. The method yielded accurate positions of individual rovibrational lines in the I-X and J-X electronic systems. This revealed the term symbols for the I and J states as ¹Πu (1u) and ¹Σu+ (0u+), respectively. For the 63Cu2 isotopologue, accurate molecular constants were obtained. The characterization of the J state finally allowed decisive determination of its electron configuration. The J state is obtained from the ground state by promotion of a 3dπg electron into the weakly bonding 4pπu molecular orbital. From the data analysis, lifetimes of the I state (between 10 ps and 5 ns) and J state (66 ns) were inferred. [ABSTRACT FROM AUTHOR]
Copyright of Journal of Physical Chemistry A is the property of American Chemical Society 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.)
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DbLabel: Engineering Source
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  Data: Rovibrational Characterization of High-Lying Electronic States of Cu<subscript>2</subscript> by Double-Resonant Nonlinear Spectroscopy.
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  Data: <searchLink fieldCode="JN" term="%22Journal+of+Physical+Chemistry+A%22">Journal of Physical Chemistry A</searchLink>. 11/9/2017, Vol. 121 Issue 44, p8448-8452. 5p.
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  Data: <searchLink fieldCode="DE" term="%22Copper+compounds%22">Copper compounds</searchLink><br /><searchLink fieldCode="DE" term="%22Transition+metals%22">Transition metals</searchLink><br /><searchLink fieldCode="DE" term="%22Excited+states%22">Excited states</searchLink><br /><searchLink fieldCode="DE" term="%22Gas+phase+reactions%22">Gas phase reactions</searchLink><br /><searchLink fieldCode="DE" term="%22Electron+configuration%22">Electron configuration</searchLink><br /><searchLink fieldCode="DE" term="%22Molecular+orbitals%22">Molecular orbitals</searchLink>
– Name: Abstract
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  Data: The available knowledge of the electronically excited states of the copper dimer is limited. This is common for transition metals, as the high density of states hinders both experimental assignment and computation. In this work, two-color resonant four-wave mixing spectroscopy was applied to neutral Cu2 in the gas phase. The method yielded accurate positions of individual rovibrational lines in the I-X and J-X electronic systems. This revealed the term symbols for the I and J states as ¹Πu (1u) and ¹Σu+ (0u+), respectively. For the 63Cu2 isotopologue, accurate molecular constants were obtained. The characterization of the J state finally allowed decisive determination of its electron configuration. The J state is obtained from the ground state by promotion of a 3dπg electron into the weakly bonding 4pπu molecular orbital. From the data analysis, lifetimes of the I state (between 10 ps and 5 ns) and J state (66 ns) were inferred. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
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  Data: <i>Copyright of Journal of Physical Chemistry A is the property of American Chemical Society 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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        Value: 10.1021/acs.jpca.7b09838
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        Text: English
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        Type: general
      – SubjectFull: Transition metals
        Type: general
      – SubjectFull: Excited states
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      – SubjectFull: Gas phase reactions
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      – SubjectFull: Electron configuration
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      – SubjectFull: Molecular orbitals
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      – TitleFull: Rovibrational Characterization of High-Lying Electronic States of Cu2 by Double-Resonant Nonlinear Spectroscopy.
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              Text: 11/9/2017
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