Signature of a conical intersection in the dissociative photoionization of formaldehyde

9 pags., 4 figs., 2 tabs. -- This article is part of the themed collection: 2020 PCCP HOT Articles

Detalles Bibliográficos
Autores: Zanchet, Alexandre, García, Gustavo A., Nahon, Laurent, Bañares, Luis, Marggi-Poullain, S.
Tipo de recurso: artículo
Estado:Versión aceptada para publicación
Fecha de publicación:2020
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/223742
Acceso en línea:http://hdl.handle.net/10261/223742
Access Level:acceso abierto
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spelling Signature of a conical intersection in the dissociative photoionization of formaldehydeZanchet, AlexandreGarcía, Gustavo A.Nahon, LaurentBañares, LuisMarggi-Poullain, S.9 pags., 4 figs., 2 tabs. -- This article is part of the themed collection: 2020 PCCP HOT ArticlesThe valence-shell photoionization of formaldehyde is investigated by means of combining Photo-Electron Photo-Ion COincidence (PEPICO) experiments and ab initio calculations. The formation of three ion fragments: HCO+, CO+ and H+2, via dissociative photoionization following excitation at 17 eV is discussed. The experimental results consisting of electron-ion kinetic energy correlation diagrams for the corresponding coincident events, i.e. (HCO+, e-), (CO+, e-) and (H+2, e-), as well as the fragment abundance as a function of the binding energy, are complemented by high level electronic structure calculations including potential energy curves and on-the-fly trajectories. The results are consistent with a main relaxation process via internal conversion into rovibrationally excited levels of the H2CO+ ground state, followed by statistical dissociation, preferentially into HCO+. The analysis of the experimental results reveals nevertheless the signature of a conical intersection controlling the dynamics and favoring dissociation into the molecular channel, CO+ + H2. In addition, the minor formation of the H+2 ion is suggested to occur through a roaming pathway on the cation excited state.This project has received funding from the European Union’s Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie grant agreement No. 842539 (ATTO-CONTROL) and has been financed in part by the Spanish MINECO (grant CTQ2015-65033-P) and the Spanish Ministry of Science and Innovation (grant PGC2018- 096444-B-I00).Royal Society of Chemistry (UK)European CommissionMinisterio de Economía y Competitividad (España)Ministerio de Ciencia, Innovación y Universidades (España)Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]2020202020202020info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501Postprintinfo:eu-repo/semantics/acceptedVersionhttp://hdl.handle.net/10261/223742reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)Inglés#PLACEHOLDER_PARENT_METADATA_VALUE##PLACEHOLDER_PARENT_METADATA_VALUE##PLACEHOLDER_PARENT_METADATA_VALUE#info:eu-repo/grantAgreement/EC/H2020/842539info:eu-repo/grantAgreement/MINECO/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/CTQ2015-65033-Pinfo:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PGC2018-096444-B-I00http://dx.doi.org/10.1039/d0cp01267jSíinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/2237422026-05-22T06:33:51Z
dc.title.none.fl_str_mv Signature of a conical intersection in the dissociative photoionization of formaldehyde
title Signature of a conical intersection in the dissociative photoionization of formaldehyde
spellingShingle Signature of a conical intersection in the dissociative photoionization of formaldehyde
Zanchet, Alexandre
title_short Signature of a conical intersection in the dissociative photoionization of formaldehyde
title_full Signature of a conical intersection in the dissociative photoionization of formaldehyde
title_fullStr Signature of a conical intersection in the dissociative photoionization of formaldehyde
title_full_unstemmed Signature of a conical intersection in the dissociative photoionization of formaldehyde
title_sort Signature of a conical intersection in the dissociative photoionization of formaldehyde
dc.creator.none.fl_str_mv Zanchet, Alexandre
García, Gustavo A.
Nahon, Laurent
Bañares, Luis
Marggi-Poullain, S.
author Zanchet, Alexandre
author_facet Zanchet, Alexandre
García, Gustavo A.
Nahon, Laurent
Bañares, Luis
Marggi-Poullain, S.
author_role author
author2 García, Gustavo A.
Nahon, Laurent
Bañares, Luis
Marggi-Poullain, S.
author2_role author
author
author
author
dc.contributor.none.fl_str_mv European Commission
Ministerio de Economía y Competitividad (España)
Ministerio de Ciencia, Innovación y Universidades (España)
Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]
description 9 pags., 4 figs., 2 tabs. -- This article is part of the themed collection: 2020 PCCP HOT Articles
publishDate 2020
dc.date.none.fl_str_mv 2020
2020
2020
2020
dc.type.none.fl_str_mv info:eu-repo/semantics/article
http://purl.org/coar/resource_type/c_6501
Postprint
info:eu-repo/semantics/acceptedVersion
format article
status_str acceptedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/10261/223742
url http://hdl.handle.net/10261/223742
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv #PLACEHOLDER_PARENT_METADATA_VALUE#
#PLACEHOLDER_PARENT_METADATA_VALUE#
#PLACEHOLDER_PARENT_METADATA_VALUE#
info:eu-repo/grantAgreement/EC/H2020/842539
info:eu-repo/grantAgreement/MINECO/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/CTQ2015-65033-P
info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PGC2018-096444-B-I00
http://dx.doi.org/10.1039/d0cp01267j
Sí
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv Royal Society of Chemistry (UK)
publisher.none.fl_str_mv Royal Society of Chemistry (UK)
dc.source.none.fl_str_mv reponame:DIGITAL.CSIC. Repositorio Institucional del CSIC
instname:Consejo Superior de Investigaciones Científicas (CSIC)
instname_str Consejo Superior de Investigaciones Científicas (CSIC)
reponame_str DIGITAL.CSIC. Repositorio Institucional del CSIC
collection DIGITAL.CSIC. Repositorio Institucional del CSIC
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