Orbital-Like Motion of Hydride Ligands around Low-Coordinate Metal Centers

Hydrogen atoms in the coordination sphere of a transition metal are highly mobile ligands. Here, a new type of dynamic process involving hydrides has been characterized by computational means. This dynamic event consists of an orbital-like motion of hydride ligands around low-coordinate metal center...

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Detalles Bibliográficos
Autores: Ortuño, Manuel A., Vidossich, Pietro, Conejero, Salvador, Lledós, Agustí
Tipo de recurso: artículo
Estado:Versión aceptada para publicación
Fecha de publicación:2014
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/147778
Acceso en línea:http://hdl.handle.net/10261/147778
Access Level:acceso abierto
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spelling Orbital-Like Motion of Hydride Ligands around Low-Coordinate Metal CentersOrtuño, Manuel A.Vidossich, PietroConejero, SalvadorLledós, AgustíHydrogen atoms in the coordination sphere of a transition metal are highly mobile ligands. Here, a new type of dynamic process involving hydrides has been characterized by computational means. This dynamic event consists of an orbital-like motion of hydride ligands around low-coordinate metal centers containing N-heterocyclic carbenes. The hydride movement around the carbene-metal-carbene axis is the lowest energy mode connecting energy equivalent isomers. This understanding provides crucial information for the interpretation of NMR spectra.Peer ReviewedWiley-BlackwellConsejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]2017201720142017info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501Postprintinfo:eu-repo/semantics/acceptedVersionhttp://hdl.handle.net/10261/147778reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)InglésSíinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/1477782026-05-22T06:33:51Z
dc.title.none.fl_str_mv Orbital-Like Motion of Hydride Ligands around Low-Coordinate Metal Centers
title Orbital-Like Motion of Hydride Ligands around Low-Coordinate Metal Centers
spellingShingle Orbital-Like Motion of Hydride Ligands around Low-Coordinate Metal Centers
Ortuño, Manuel A.
title_short Orbital-Like Motion of Hydride Ligands around Low-Coordinate Metal Centers
title_full Orbital-Like Motion of Hydride Ligands around Low-Coordinate Metal Centers
title_fullStr Orbital-Like Motion of Hydride Ligands around Low-Coordinate Metal Centers
title_full_unstemmed Orbital-Like Motion of Hydride Ligands around Low-Coordinate Metal Centers
title_sort Orbital-Like Motion of Hydride Ligands around Low-Coordinate Metal Centers
dc.creator.none.fl_str_mv Ortuño, Manuel A.
Vidossich, Pietro
Conejero, Salvador
Lledós, Agustí
author Ortuño, Manuel A.
author_facet Ortuño, Manuel A.
Vidossich, Pietro
Conejero, Salvador
Lledós, Agustí
author_role author
author2 Vidossich, Pietro
Conejero, Salvador
Lledós, Agustí
author2_role author
author
author
dc.contributor.none.fl_str_mv Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]
description Hydrogen atoms in the coordination sphere of a transition metal are highly mobile ligands. Here, a new type of dynamic process involving hydrides has been characterized by computational means. This dynamic event consists of an orbital-like motion of hydride ligands around low-coordinate metal centers containing N-heterocyclic carbenes. The hydride movement around the carbene-metal-carbene axis is the lowest energy mode connecting energy equivalent isomers. This understanding provides crucial information for the interpretation of NMR spectra.
publishDate 2014
dc.date.none.fl_str_mv 2014
2017
2017
2017
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/10261/147778
url http://hdl.handle.net/10261/147778
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv Sí
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv Wiley-Blackwell
publisher.none.fl_str_mv Wiley-Blackwell
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
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15,812429

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