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

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

doi:10.1063/1.4907714

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

PCE - Proteomics Center of Excellence

Research output: Contribution to journal › Article › peer-review

27 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 language	English (US)
Article number	064305
Journal	Journal of Chemical Physics
Volume	142
Issue number	6
DOIs	https://doi.org/10.1063/1.4907714
State	Published - Feb 14 2015

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

Access to Document

10.1063/1.4907714

Cite this

@article{1968486436b746b8af3c7e7908935a92,

title = "Photoelectron spectra of CeO- and Ce(OH)2-",

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.",

author = "Manisha Ray and Felton, {Jeremy A.} and Kafader, {Jared O.} and Topolski, {Josey E.} and Jarrold, {Caroline Chick}",

note = "Publisher Copyright: {\textcopyright} 2015 AIP Publishing LLC.",

year = "2015",

month = feb,

day = "14",

doi = "10.1063/1.4907714",

language = "English (US)",

volume = "142",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics",

number = "6",

}

TY - JOUR

T1 - Photoelectron spectra of CeO- and Ce(OH)2-

AU - Ray, Manisha

AU - Felton, Jeremy A.

AU - Kafader, Jared O.

AU - Topolski, Josey E.

AU - Jarrold, Caroline Chick

PY - 2015/2/14

Y1 - 2015/2/14

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=84923826149&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84923826149&partnerID=8YFLogxK

U2 - 10.1063/1.4907714

DO - 10.1063/1.4907714

M3 - Article

C2 - 25681904

AN - SCOPUS:84923826149

SN - 0021-9606

VL - 142

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 6

M1 - 064305

ER -

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

Abstract

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Cite this