Resonances in the Entrance Channel of the Elementary Chemical Reaction of Fluorine and Methane

Autores
Westerman, Till; Kim, Jongjin B.; Weichman, Marissa L.; Hock, Christian; Yacovitch, Tara I.; Palma, Juliana Isabel; Neumark, Daniel N.; Manthe, Uwe
Año de publicación
2013
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Extending the fully quantum-state-resolved description of elementary chemical reactions beyond three or four atom systems is a crucial issue in fundamental chemical research. Reactions of methane with F, Cl, H or O are key examples that have been studied prominently. In particular, reactive resonances and nonintuitive mode-selective chemistry have been reported in experimental studies for the F+CH4→HF+CH3 reaction. By investigating this reaction using transition-state spectroscopy, this joint theoretical and experimental study provides a clear picture of resonances in the F+CH4 system. This picture is deduced from high-resolution slow electron velocity-map imaging (SEVI) spectra and accurate full-dimensional (12D) quantum dynamics simulations in the picosecond regime.
Fil: Westerman, Till. Universitat Bielefeld; Alemania
Fil: Kim, Jongjin B.. University of California at Berkeley; Estados Unidos
Fil: Weichman, Marissa L.. University of California at Berkeley; Estados Unidos
Fil: Hock, Christian. University of California at Berkeley; Estados Unidos
Fil: Yacovitch, Tara I.. University of California at Berkeley; Estados Unidos
Fil: Palma, Juliana Isabel. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de Quilmes. Departamento de Ciencia y Tecnología; Argentina
Fil: Neumark, Daniel N.. University of California at Berkeley; Estados Unidos
Fil: Manthe, Uwe. Universitat Bielefeld; Alemania
Materia
Transition State Spectroscopy
Electron Photodetachment
Full-D Quantum Dynamics
Mctdh
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/32611
Acceder
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network_name_str CONICET Digital (CONICET)
spelling Resonances in the Entrance Channel of the Elementary Chemical Reaction of Fluorine and MethaneWesterman, TillKim, Jongjin B.Weichman, Marissa L.Hock, ChristianYacovitch, Tara I.Palma, Juliana IsabelNeumark, Daniel N.Manthe, UweTransition State SpectroscopyElectron PhotodetachmentFull-D Quantum DynamicsMctdhhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1Extending the fully quantum-state-resolved description of elementary chemical reactions beyond three or four atom systems is a crucial issue in fundamental chemical research. Reactions of methane with F, Cl, H or O are key examples that have been studied prominently. In particular, reactive resonances and nonintuitive mode-selective chemistry have been reported in experimental studies for the F+CH4→HF+CH3 reaction. By investigating this reaction using transition-state spectroscopy, this joint theoretical and experimental study provides a clear picture of resonances in the F+CH4 system. This picture is deduced from high-resolution slow electron velocity-map imaging (SEVI) spectra and accurate full-dimensional (12D) quantum dynamics simulations in the picosecond regime.Fil: Westerman, Till. Universitat Bielefeld; AlemaniaFil: Kim, Jongjin B.. University of California at Berkeley; Estados UnidosFil: Weichman, Marissa L.. University of California at Berkeley; Estados UnidosFil: Hock, Christian. University of California at Berkeley; Estados UnidosFil: Yacovitch, Tara I.. University of California at Berkeley; Estados UnidosFil: Palma, Juliana Isabel. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de Quilmes. Departamento de Ciencia y Tecnología; ArgentinaFil: Neumark, Daniel N.. University of California at Berkeley; Estados UnidosFil: Manthe, Uwe. Universitat Bielefeld; AlemaniaWiley VCH Verlag2013-12info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/postscriptapplication/pdfhttp://hdl.handle.net/11336/32611Westerman, Till; Kim, Jongjin B.; Weichman, Marissa L.; Hock, Christian; Yacovitch, Tara I.; et al.; Resonances in the Entrance Channel of the Elementary Chemical Reaction of Fluorine and Methane; Wiley VCH Verlag; Angewandte Chemie; 53; 4; 12-2013; 1122-11261433-78511521-3773CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1002/anie.201307822info:eu-repo/semantics/altIdentifier/url/http://onlinelibrary.wiley.com/doi/10.1002/anie.201307822/abstractinfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-22T12:18:46Zoai:ri.conicet.gov.ar:11336/32611instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-10-22 12:18:46.789CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Resonances in the Entrance Channel of the Elementary Chemical Reaction of Fluorine and Methane
title Resonances in the Entrance Channel of the Elementary Chemical Reaction of Fluorine and Methane
spellingShingle Resonances in the Entrance Channel of the Elementary Chemical Reaction of Fluorine and Methane
Westerman, Till
Transition State Spectroscopy
Electron Photodetachment
Full-D Quantum Dynamics
Mctdh
title_short Resonances in the Entrance Channel of the Elementary Chemical Reaction of Fluorine and Methane
title_full Resonances in the Entrance Channel of the Elementary Chemical Reaction of Fluorine and Methane
title_fullStr Resonances in the Entrance Channel of the Elementary Chemical Reaction of Fluorine and Methane
title_full_unstemmed Resonances in the Entrance Channel of the Elementary Chemical Reaction of Fluorine and Methane
title_sort Resonances in the Entrance Channel of the Elementary Chemical Reaction of Fluorine and Methane
dc.creator.none.fl_str_mv Westerman, Till
Kim, Jongjin B.
Weichman, Marissa L.
Hock, Christian
Yacovitch, Tara I.
Palma, Juliana Isabel
Neumark, Daniel N.
Manthe, Uwe
author Westerman, Till
author_facet Westerman, Till
Kim, Jongjin B.
Weichman, Marissa L.
Hock, Christian
Yacovitch, Tara I.
Palma, Juliana Isabel
Neumark, Daniel N.
Manthe, Uwe
author_role author
author2 Kim, Jongjin B.
Weichman, Marissa L.
Hock, Christian
Yacovitch, Tara I.
Palma, Juliana Isabel
Neumark, Daniel N.
Manthe, Uwe
author2_role author
author
author
author
author
author
author
dc.subject.none.fl_str_mv Transition State Spectroscopy
Electron Photodetachment
Full-D Quantum Dynamics
Mctdh
topic Transition State Spectroscopy
Electron Photodetachment
Full-D Quantum Dynamics
Mctdh
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Extending the fully quantum-state-resolved description of elementary chemical reactions beyond three or four atom systems is a crucial issue in fundamental chemical research. Reactions of methane with F, Cl, H or O are key examples that have been studied prominently. In particular, reactive resonances and nonintuitive mode-selective chemistry have been reported in experimental studies for the F+CH4→HF+CH3 reaction. By investigating this reaction using transition-state spectroscopy, this joint theoretical and experimental study provides a clear picture of resonances in the F+CH4 system. This picture is deduced from high-resolution slow electron velocity-map imaging (SEVI) spectra and accurate full-dimensional (12D) quantum dynamics simulations in the picosecond regime.
Fil: Westerman, Till. Universitat Bielefeld; Alemania
Fil: Kim, Jongjin B.. University of California at Berkeley; Estados Unidos
Fil: Weichman, Marissa L.. University of California at Berkeley; Estados Unidos
Fil: Hock, Christian. University of California at Berkeley; Estados Unidos
Fil: Yacovitch, Tara I.. University of California at Berkeley; Estados Unidos
Fil: Palma, Juliana Isabel. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de Quilmes. Departamento de Ciencia y Tecnología; Argentina
Fil: Neumark, Daniel N.. University of California at Berkeley; Estados Unidos
Fil: Manthe, Uwe. Universitat Bielefeld; Alemania
description Extending the fully quantum-state-resolved description of elementary chemical reactions beyond three or four atom systems is a crucial issue in fundamental chemical research. Reactions of methane with F, Cl, H or O are key examples that have been studied prominently. In particular, reactive resonances and nonintuitive mode-selective chemistry have been reported in experimental studies for the F+CH4→HF+CH3 reaction. By investigating this reaction using transition-state spectroscopy, this joint theoretical and experimental study provides a clear picture of resonances in the F+CH4 system. This picture is deduced from high-resolution slow electron velocity-map imaging (SEVI) spectra and accurate full-dimensional (12D) quantum dynamics simulations in the picosecond regime.
publishDate 2013
dc.date.none.fl_str_mv 2013-12
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/32611
Westerman, Till; Kim, Jongjin B.; Weichman, Marissa L.; Hock, Christian; Yacovitch, Tara I.; et al.; Resonances in the Entrance Channel of the Elementary Chemical Reaction of Fluorine and Methane; Wiley VCH Verlag; Angewandte Chemie; 53; 4; 12-2013; 1122-1126
1433-7851
1521-3773
CONICET Digital
CONICET
url http://hdl.handle.net/11336/32611
identifier_str_mv Westerman, Till; Kim, Jongjin B.; Weichman, Marissa L.; Hock, Christian; Yacovitch, Tara I.; et al.; Resonances in the Entrance Channel of the Elementary Chemical Reaction of Fluorine and Methane; Wiley VCH Verlag; Angewandte Chemie; 53; 4; 12-2013; 1122-1126
1433-7851
1521-3773
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1002/anie.201307822
info:eu-repo/semantics/altIdentifier/url/http://onlinelibrary.wiley.com/doi/10.1002/anie.201307822/abstract
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/postscript
application/pdf
dc.publisher.none.fl_str_mv Wiley VCH Verlag
publisher.none.fl_str_mv Wiley VCH Verlag
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
_version_ 1846782621611196416
score 12.982451

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