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Probing electronic states of TaC and observation of a stable excited state of TaC- by anion-photoelectron spectroscopy
Date Issued
05-10-2015
Author(s)
Indian Institute of Technology, Madras
Nrisimhamurty, M.
Mane, Rupali G.
Gupta, A. K.
Krishnakumar, E.
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.
Volume
92