Photoelectron spectra of CeO- and Ce(OH)2-

Manisha Ray, Jeremy A. Felton, Jared O. Kafader, Josey E. Topolski, Caroline Chick Jarrold*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

25 Scopus citations

Abstract

The photoelectron spectrum of CeO- 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)2-, a molecule in which the Ce atom shares the same formal oxidation state as the Ce atom in CeO-, also exhibits what appears to be a single transition. From the spectra, the adiabatic electron affinities of CeO and Ce(OH)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- 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- and Ce(OH)2- are calculated to have 4f 6s2 Ce+ 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- are tentatively assigned to the 1Σ+ (Ω = 0) state of CeO with the Ce+2 6s2 superconfiguration.

Original languageEnglish (US)
Article number064305
JournalJournal of Chemical Physics
Volume142
Issue number6
DOIs
StatePublished - Feb 14 2015

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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