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Combined experimental and theoretical studies on electron transfer in potassium collisions with CCl4

2020-04-23Journal article Restricted access
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dc.contributor.authorRegeta, K.
dc.contributor.authorKumar, S.
dc.contributor.authorCunha, T.
dc.contributor.authorMendes, Mónica
dc.contributor.authorLozano Martínez, Ana Isabel
dc.contributor.authorPereira, Pedro
dc.contributor.authorGarcia, G.
dc.contributor.authorMoutinho, A. M. C.
dc.contributor.authorBacchus-Montabonel, Marie-Christine
dc.contributor.authorLIMAO-VIEIRA, P
dc.date.accessioned2020-06-22T11:22:34Z
dc.date.available2020-06-22T11:22:34Z
dc.date.issued2020-04-23
dc.description.abstractNegative ion formation in electron transfer experiments from fast neutral potassium (K) atom collisions with neutral tetrachloromethane (CCl4) molecules has been investigated in the laboratory frame range of 8-1000 eV. Comprehensive calculations on the electronic structure were performed for CCl4 in the presence of a potassium atom and used to help analyze the lowest unoccupied molecular orbitals participating in the collision process. Additionally, K+ energy loss produced in the forward direction has served to further our knowledge on the electronic state spectroscopy of CCl4. A vertical electron affinity of -0.79 +/- 0.20 eV has been obtained and assigned to a purely repulsive transition from CCl4 ground state to the(2)T(2) state of the temporary negative ion yielding Cl- formation. Other features in the energy loss spectrum were observed for the first time and related to Cl-2(-), CCl2-, and CCl3- formation. Special attention is also given to the unresolved feature corresponding to a positive electron affinity of 0.24 +/- 0.2 eV, assigned to a vibrationally hot transition from CCl4 ground state into the triply degenerate T-2(2) excited state of the negative ion. The combined time-of-flight mass spectrometry together with K+ energy loss data represents the most comprehensive assignment of the tetrachloromethane anion yields and the role of CCl4 electronic states in collision induced dissociation to date.pt_PT
dc.description.versioninfo:eu-repo/semantics/publishedVersionpt_PT
dc.identifier.citationREGETA, K.; [et al] – Combined experimental and theoretical studies on electron transfer in potassium collisions with CCl4. Journal of Physical Chemistry A. ISSN 1089-5639. Vol. 124, N.º 16 (2020), pp. 3220-3227pt_PT
dc.identifier.doi10.1021/acs.jpca.0c02076pt_PT
dc.identifier.issn1089-5639
dc.identifier.issn1520-5215
dc.identifier.urihttp://hdl.handle.net/10400.21/11936
dc.language.isoengpt_PT
dc.peerreviewedyespt_PT
dc.publisherACS Publicationspt_PT
dc.relationPD/BD/142831/2018 - FCTpt_PT
dc.relationSFRH/BD/52538/2014 - FCTpt_PT
dc.relationPD/BD/106038/2015 - FCTpt_PT
dc.relationUIDB/00068/2020 - Research Grants CEFITECpt_PT
dc.relationPTDC/FIS-AQM/31281/2017 - Research Grants CEFITECpt_PT
dc.relationPD/00193/2012 - Radiation Biology and Biophysics Doctoral Training Programme (RaBBiT)pt_PT
dc.relationUIDB/04378/2020 - UCIBIOpt_PT
dc.relationFIS2016-80440 - Spanish Ministerio de Ciencia, Innovacion y Universidadespt_PT
dc.relationLINKA20085 - Consejo Superior de Investigaciones Cientificas (CSIC)pt_PT
dc.relation.publisherversionhttps://pubs.acs.org/doi/pdf/10.1021/acs.jpca.0c02076pt_PT
dc.subjectElectron transferpt_PT
dc.subjectPotassium collisionspt_PT
dc.subjectCCl4pt_PT
dc.titleCombined experimental and theoretical studies on electron transfer in potassium collisions with CCl4pt_PT
dc.typejournal article
dspace.entity.typePublication
oaire.citation.endPage3227pt_PT
oaire.citation.issue16pt_PT
oaire.citation.startPage3220pt_PT
oaire.citation.titleJournal of Physical Chemistry Apt_PT
oaire.citation.volume124pt_PT
person.familyNamedos Santos Mendes
person.familyNameLozano
person.familyNamePereira
person.familyNameBacchus-Montabonel
person.familyNameLimao-Vieira
person.givenNameMónica Filipa
person.givenNameAna Isabel
person.givenNamePedro
person.givenNameMarie-Christine
person.givenNamePaulo
person.identifier.ciencia-id7812-D8DA-07B1
person.identifier.ciencia-id1219-01FB-BB29
person.identifier.ciencia-idEF12-8EF0-DD5A
person.identifier.ciencia-idFB1E-E50F-C403
person.identifier.orcid0000-0002-5266-8139
person.identifier.orcid0000-0003-4613-0372
person.identifier.orcid0000-0003-4503-3175
person.identifier.orcid0000-0002-0958-2380
person.identifier.orcid0000-0003-2696-1152
person.identifier.ridAAD-9362-2021
person.identifier.ridF-4020-2010
person.identifier.ridK-2115-2013
person.identifier.scopus-author-id8398904700
rcaap.rightsclosedAccesspt_PT
rcaap.typearticlept_PT
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relation.isAuthorOfPublication.latestForDiscoveryec2031a9-5ca4-471a-80ad-d8fe67716aa6

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