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Photoelectron spectra of CeO(-) and Ce(OH)2 (-)
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 f...
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Published in: | The Journal of chemical physics 2015-02, Vol.142 (6), p.064305-064305 |
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container_title | The Journal of chemical physics |
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creator | Ray, Manisha Felton, Jeremy A Kafader, Jared O Topolski, Josey E Jarrold, Caroline Chick |
description | 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 6s(2) 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 (1)Σ(+) (Ω = 0) state of CeO with the Ce+26s2 superconfiguration. |
doi_str_mv | 10.1063/1.4907714 |
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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 6s(2) 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 (1)Σ(+) (Ω = 0) state of CeO with the Ce+26s2 superconfiguration.</description><identifier>ISSN: 0021-9606</identifier><identifier>EISSN: 1089-7690</identifier><identifier>DOI: 10.1063/1.4907714</identifier><identifier>PMID: 25681904</identifier><language>eng</language><publisher>United States: American Institute of Physics</publisher><subject>Affinity ; Electron affinity ; Electron states ; Electrons ; Energy of dissociation ; Free energy ; Heat of formation ; Oxidation ; Valence</subject><ispartof>The Journal of chemical physics, 2015-02, Vol.142 (6), p.064305-064305</ispartof><rights>2015 AIP Publishing LLC.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c228t-208465671b62f36c3121b9a484eb058985db074be25288c44b042573c514e8a13</citedby><cites>FETCH-LOGICAL-c228t-208465671b62f36c3121b9a484eb058985db074be25288c44b042573c514e8a13</cites><orcidid>0000-0001-7145-6601</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,780,782,784,27924,27925</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/25681904$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Ray, Manisha</creatorcontrib><creatorcontrib>Felton, Jeremy A</creatorcontrib><creatorcontrib>Kafader, Jared O</creatorcontrib><creatorcontrib>Topolski, Josey E</creatorcontrib><creatorcontrib>Jarrold, Caroline Chick</creatorcontrib><title>Photoelectron spectra of CeO(-) and Ce(OH)2 (-)</title><title>The Journal of chemical physics</title><addtitle>J Chem Phys</addtitle><description>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 6s(2) 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 (1)Σ(+) (Ω = 0) state of CeO with the Ce+26s2 superconfiguration.</description><subject>Affinity</subject><subject>Electron affinity</subject><subject>Electron states</subject><subject>Electrons</subject><subject>Energy of dissociation</subject><subject>Free energy</subject><subject>Heat of formation</subject><subject>Oxidation</subject><subject>Valence</subject><issn>0021-9606</issn><issn>1089-7690</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2015</creationdate><recordtype>article</recordtype><recordid>eNpdkLFOwzAQhi0EoqUw8AIoEks7pL27OI49ogooUqUywGzZqSNapXGJk4G3r6sWBqb7T_r03-lj7B5hiiCyGU65gqJAfsGGCFKlhVBwyYYAhKkSIAbsJoQtAGBB_JoNKBcSFfAhm71_-c672pVd65sk7I_BJL5K5m41TieJadYxjleLCSVxv2VXlamDuzvPEft8ef6YL9Ll6vVt_rRMSyLZpQSSi1wUaAVVmSgzJLTKcMmdhVwqma8tFNw6yknKknMLnPIiK3PkThrMRmx86t23_rt3odO7TShdXZvG-T5oFEJSJrgUEX38h2593zbxO01IXGG8SpGanKiy9SG0rtL7drMz7Y9G0EeLGvXZYmQfzo293bn1H_mrLTsAZpZlGQ</recordid><startdate>20150214</startdate><enddate>20150214</enddate><creator>Ray, Manisha</creator><creator>Felton, Jeremy A</creator><creator>Kafader, Jared O</creator><creator>Topolski, Josey E</creator><creator>Jarrold, Caroline Chick</creator><general>American Institute of Physics</general><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>8FD</scope><scope>H8D</scope><scope>L7M</scope><scope>7X8</scope><orcidid>https://orcid.org/0000-0001-7145-6601</orcidid></search><sort><creationdate>20150214</creationdate><title>Photoelectron spectra of CeO(-) and Ce(OH)2 (-)</title><author>Ray, Manisha ; Felton, Jeremy A ; Kafader, Jared O ; Topolski, Josey E ; Jarrold, Caroline Chick</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c228t-208465671b62f36c3121b9a484eb058985db074be25288c44b042573c514e8a13</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2015</creationdate><topic>Affinity</topic><topic>Electron affinity</topic><topic>Electron states</topic><topic>Electrons</topic><topic>Energy of dissociation</topic><topic>Free energy</topic><topic>Heat of formation</topic><topic>Oxidation</topic><topic>Valence</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Ray, Manisha</creatorcontrib><creatorcontrib>Felton, Jeremy A</creatorcontrib><creatorcontrib>Kafader, Jared O</creatorcontrib><creatorcontrib>Topolski, Josey E</creatorcontrib><creatorcontrib>Jarrold, Caroline Chick</creatorcontrib><collection>PubMed</collection><collection>CrossRef</collection><collection>Technology Research Database</collection><collection>Aerospace Database</collection><collection>Advanced Technologies Database with Aerospace</collection><collection>MEDLINE - Academic</collection><jtitle>The Journal of chemical physics</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Ray, Manisha</au><au>Felton, Jeremy A</au><au>Kafader, Jared O</au><au>Topolski, Josey E</au><au>Jarrold, Caroline Chick</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Photoelectron spectra of CeO(-) and Ce(OH)2 (-)</atitle><jtitle>The Journal of chemical physics</jtitle><addtitle>J Chem Phys</addtitle><date>2015-02-14</date><risdate>2015</risdate><volume>142</volume><issue>6</issue><spage>064305</spage><epage>064305</epage><pages>064305-064305</pages><issn>0021-9606</issn><eissn>1089-7690</eissn><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 6s(2) 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 (1)Σ(+) (Ω = 0) state of CeO with the Ce+26s2 superconfiguration.</abstract><cop>United States</cop><pub>American Institute of Physics</pub><pmid>25681904</pmid><doi>10.1063/1.4907714</doi><tpages>1</tpages><orcidid>https://orcid.org/0000-0001-7145-6601</orcidid></addata></record> |
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source | American Institute of Physics (AIP) Publications; American Institute of Physics:Jisc Collections:Transitional Journals Agreement 2021-23 (Reading list) |
subjects | Affinity Electron affinity Electron states Electrons Energy of dissociation Free energy Heat of formation Oxidation Valence |
title | Photoelectron spectra of CeO(-) and Ce(OH)2 (-) |
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