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
.jpg)
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/32611
Ver los metadatos del registro completo
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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 |
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eng |
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eng |
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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 |
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Wiley VCH Verlag |
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