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The electronic structure of VO in its ground and electronically excited states: a combined matrix isolation and quantum chemical (MRCI) study

The electronic ground and excited states of the vanadium monoxide (VO) molecule were studied in detail. Electronic absorption spectra for the molecule isolated in Ne matrices complement the previous gas-phase spectra. A thorough quantum chemical (multi-reference configuration interaction) study esse...

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Bibliographic Details
Main Authors: Hübner, Olaf (Author) , Hornung, Julius (Author) , Himmel, Hans-Jörg (Author)
Format: Article (Journal)
Language:English
Published: 10 July 2015
In: The journal of chemical physics
Year: 2015, Volume: 143, Issue: 2
ISSN:1089-7690
DOI:10.1063/1.4926393
Online Access:Verlag, lizenzpflichtig, Volltext: https://doi.org/10.1063/1.4926393
Verlag, lizenzpflichtig, Volltext: https://aip.scitation.org/doi/10.1063/1.4926393
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Author Notes:Olaf Hübner, Julius Hornung, and Hans-Jörg Himmel
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Summary:The electronic ground and excited states of the vanadium monoxide (VO) molecule were studied in detail. Electronic absorption spectra for the molecule isolated in Ne matrices complement the previous gas-phase spectra. A thorough quantum chemical (multi-reference configuration interaction) study essentially confirms the assignment and characterization of the electronic excitations observed for VO in the gas-phase and in Ne matrices and allows the clarification of open issues. It provides a complete overview over the electronically excited states up to about 3 eV of this archetypical compound.
Item Description:Gesehen am 02.06.2020
Physical Description:Online Resource
ISSN:1089-7690
DOI:10.1063/1.4926393

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