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Title: Photoelectron spectra of CeO{sup −} and Ce(OH){sub 2}{sup −}

Abstract

The photoelectron spectrum of CeO{sup −} exhibits what appears to be a single predominant electronic transition over an energy range in which numerous close-lying electronic states of CeO neutral are well known. The photoelectron spectrum of Ce(OH){sub 2}{sup −}, a molecule in which the Ce atom shares the same formal oxidation state as the Ce atom in CeO{sup −}, also exhibits what appears to be a single transition. From the spectra, the adiabatic electron affinities of CeO and Ce(OH){sub 2} are determined to be 0.936 ± 0.007 eV and 0.69 ± 0.03 eV, respectively. From the electron affinity of CeO, the CeO{sup −} bond dissociation energy was determined to be 7.7 eV, 0.5 eV lower than the neutral bond dissociation energy. The ground state orbital occupancies of both CeO{sup −} and Ce(OH){sub 2}{sup −} are calculated to have 4f 6s{sup 2} Ce{sup +} superconfigurations, with open-shell states having 4f5d6s superconfiguration predicted to be over 1 eV higher in energy. Low-intensity transitions observed at higher electron binding energies in the spectrum of CeO{sup −} are tentatively assigned to the {sup 1}Σ{sup +} (Ω = 0) state of CeO with the Ce{sup +2}⍰6s{sup 2} superconfiguration.

Authors:
; ; ; ;  [1]
  1. Department of Chemistry, Indiana University, 800 East Kirkwood Avenue, Bloomington, Indiana 47405 (United States)
Publication Date:
OSTI Identifier:
22410271
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 142; Journal Issue: 6; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; AFFINITY; DISSOCIATION ENERGY; EV RANGE; GROUND STATES; PHOTOELECTRON SPECTROSCOPY; SPECTRA

Citation Formats

Ray, Manisha, Felton, Jeremy A., Kafader, Jared O., Topolski, Josey E., and Jarrold, Caroline Chick, E-mail: cjarrold@indiana.edu. Photoelectron spectra of CeO{sup −} and Ce(OH){sub 2}{sup −}. United States: N. p., 2015. Web. doi:10.1063/1.4907714.
Ray, Manisha, Felton, Jeremy A., Kafader, Jared O., Topolski, Josey E., & Jarrold, Caroline Chick, E-mail: cjarrold@indiana.edu. Photoelectron spectra of CeO{sup −} and Ce(OH){sub 2}{sup −}. United States. doi:10.1063/1.4907714.
Ray, Manisha, Felton, Jeremy A., Kafader, Jared O., Topolski, Josey E., and Jarrold, Caroline Chick, E-mail: cjarrold@indiana.edu. Sat . "Photoelectron spectra of CeO{sup −} and Ce(OH){sub 2}{sup −}". United States. doi:10.1063/1.4907714.
@article{osti_22410271,
title = {Photoelectron spectra of CeO{sup −} and Ce(OH){sub 2}{sup −}},
author = {Ray, Manisha and Felton, Jeremy A. and Kafader, Jared O. and Topolski, Josey E. and Jarrold, Caroline Chick, E-mail: cjarrold@indiana.edu},
abstractNote = {The photoelectron spectrum of CeO{sup −} exhibits what appears to be a single predominant electronic transition over an energy range in which numerous close-lying electronic states of CeO neutral are well known. The photoelectron spectrum of Ce(OH){sub 2}{sup −}, a molecule in which the Ce atom shares the same formal oxidation state as the Ce atom in CeO{sup −}, also exhibits what appears to be a single transition. From the spectra, the adiabatic electron affinities of CeO and Ce(OH){sub 2} are determined to be 0.936 ± 0.007 eV and 0.69 ± 0.03 eV, respectively. From the electron affinity of CeO, the CeO{sup −} bond dissociation energy was determined to be 7.7 eV, 0.5 eV lower than the neutral bond dissociation energy. The ground state orbital occupancies of both CeO{sup −} and Ce(OH){sub 2}{sup −} are calculated to have 4f 6s{sup 2} Ce{sup +} superconfigurations, with open-shell states having 4f5d6s superconfiguration predicted to be over 1 eV higher in energy. Low-intensity transitions observed at higher electron binding energies in the spectrum of CeO{sup −} are tentatively assigned to the {sup 1}Σ{sup +} (Ω = 0) state of CeO with the Ce{sup +2}⍰6s{sup 2} superconfiguration.},
doi = {10.1063/1.4907714},
journal = {Journal of Chemical Physics},
number = 6,
volume = 142,
place = {United States},
year = {Sat Feb 14 00:00:00 EST 2015},
month = {Sat Feb 14 00:00:00 EST 2015}
}