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Probing electronic states of TaC and observation of a stable excited state of TaC- by anion-photoelectron spectroscopy
Published in American Physical Society
2015
Volume: 92
   
Issue: 4
Abstract
We report the experimental value of electron affinity for TaC to be 1.928(0.056) eV by performing photodetachment of its anion at 355 nm. An excited-electronic state of the anion, stable against autodetachment, is observed lying 0.828 eV above the ground-electronic state. Five low-lying electronic states of TaC are observed and identified by comparison with restricted second-order configuration interaction (SOCI) calculations. Vibrational frequencies for the electronic states are obtained from the analysis of the measured data. We also present the results of density functional theory (DFT) calculations performed on the adiabatic electron affinity, yielding a value of 1.9236 eV and vertical detachment energy value of 1.924 eV. © 2015 American Physical Society.
About the journal
JournalData powered by TypesetPhysical Review A - Atomic, Molecular, and Optical Physics
PublisherData powered by TypesetAmerican Physical Society
ISSN10502947
Open AccessNo
Concepts (15)
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    Density functional theory
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    Electron affinity
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    Electronic states
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    Ions
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    Negative ions
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    Photoelectron spectroscopy
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    ADIABATIC ELECTRON AFFINITY
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    ANION PHOTOELECTRON SPECTROSCOPY
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    Configuration interactions
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    EXCITED ELECTRONIC STATE
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    Experimental values
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    Ground electronic state
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    LOW LYING ELECTRONIC STATE
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    VERTICAL DETACHMENT ENERGIES
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    Excited states