The oxidation state in low-valent beryllium and magnesium compounds

Low-valent group 2 (E = Be and Mg) stabilized compounds have been long synthetically pursued. Here we discuss the electronic structure of a series of Lewis base-stabilized Be and Mg compounds. Despite the accepted zero(0) oxidation state nature of the group 2 elements of some recent experimentally a...

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Autores: Gimferrer, Martí, Danés, Sergi, Vos Esteban, Eva, Yildiz, Cem B., Corral Pérez, Inés, Jana, Anukul, Salvador, Pedro, Andrada, Diego M.
Tipo de recurso: artículo
Fecha de publicación:2022
País:España
Institución:IAPH
Repositorio:Biblos-e Archivo. Repositorio Institucional de la UAM
Idioma:inglés
OAI Identifier:oai:repositorio.uam.es:10486/706893
Acceso en línea:http://hdl.handle.net/10486/706893
https://dx.doi.org/10.1039/d2sc01401g
Access Level:acceso abierto
Palabra clave:Química
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spelling The oxidation state in low-valent beryllium and magnesium compoundsGimferrer, MartíDanés, SergiVos Esteban, EvaYildiz, Cem B.Corral Pérez, InésJana, AnukulSalvador, PedroAndrada, Diego M.QuímicaLow-valent group 2 (E = Be and Mg) stabilized compounds have been long synthetically pursued. Here we discuss the electronic structure of a series of Lewis base-stabilized Be and Mg compounds. Despite the accepted zero(0) oxidation state nature of the group 2 elements of some recent experimentally accomplished species, the analysis of multireference wavefunctions provides compelling evidence for a strong diradical character with an oxidation state of +2. Thus, we elaborate on the distinction between a description as a donor-acceptor interaction L(0) ⇆ E(0) ⇄ L(0) and the internally oxidized situation, better interpreted as a diradical L(−1) → E(+2) ← L(−1) species. The experimentally accomplished examples rely on the strengthened bonds by increasing the π-acidity of the ligand; avoiding this interaction could lead to an unprecedented low-oxidation stateRoyal Society of ChemistryDepartamento de QuímicaFacultad de Ciencias20222022-05-09research articlehttp://purl.org/coar/resource_type/c_2df8fbb1VoRhttp://purl.org/coar/version/c_970fb48d4fbd8a85info:eu-repo/semantics/articleapplication/pdfhttp://hdl.handle.net/10486/706893https://dx.doi.org/10.1039/d2sc01401greponame:Biblos-e Archivo. Repositorio Institucional de la UAMinstname:IAPHInglésengEuropean Commission http://dx.doi.org/10.13039/501100000780 Horizon 2020 Framework Programme 805113open accesshttp://purl.org/coar/access_right/c_abf2info:eu-repo/semantics/openAccessoai:repositorio.uam.es:10486/7068932026-06-23T12:46:27Z
dc.title.none.fl_str_mv The oxidation state in low-valent beryllium and magnesium compounds
title The oxidation state in low-valent beryllium and magnesium compounds
spellingShingle The oxidation state in low-valent beryllium and magnesium compounds
Gimferrer, Martí
Química
title_short The oxidation state in low-valent beryllium and magnesium compounds
title_full The oxidation state in low-valent beryllium and magnesium compounds
title_fullStr The oxidation state in low-valent beryllium and magnesium compounds
title_full_unstemmed The oxidation state in low-valent beryllium and magnesium compounds
title_sort The oxidation state in low-valent beryllium and magnesium compounds
dc.creator.none.fl_str_mv Gimferrer, Martí
Danés, Sergi
Vos Esteban, Eva
Yildiz, Cem B.
Corral Pérez, Inés
Jana, Anukul
Salvador, Pedro
Andrada, Diego M.
author Gimferrer, Martí
author_facet Gimferrer, Martí
Danés, Sergi
Vos Esteban, Eva
Yildiz, Cem B.
Corral Pérez, Inés
Jana, Anukul
Salvador, Pedro
Andrada, Diego M.
author_role author
author2 Danés, Sergi
Vos Esteban, Eva
Yildiz, Cem B.
Corral Pérez, Inés
Jana, Anukul
Salvador, Pedro
Andrada, Diego M.
author2_role author
author
author
author
author
author
author
dc.contributor.none.fl_str_mv Departamento de Química
Facultad de Ciencias
dc.subject.none.fl_str_mv Química
topic Química
description Low-valent group 2 (E = Be and Mg) stabilized compounds have been long synthetically pursued. Here we discuss the electronic structure of a series of Lewis base-stabilized Be and Mg compounds. Despite the accepted zero(0) oxidation state nature of the group 2 elements of some recent experimentally accomplished species, the analysis of multireference wavefunctions provides compelling evidence for a strong diradical character with an oxidation state of +2. Thus, we elaborate on the distinction between a description as a donor-acceptor interaction L(0) ⇆ E(0) ⇄ L(0) and the internally oxidized situation, better interpreted as a diradical L(−1) → E(+2) ← L(−1) species. The experimentally accomplished examples rely on the strengthened bonds by increasing the π-acidity of the ligand; avoiding this interaction could lead to an unprecedented low-oxidation state
publishDate 2022
dc.date.none.fl_str_mv 2022
2022-05-09
dc.type.none.fl_str_mv research article
http://purl.org/coar/resource_type/c_2df8fbb1
VoR
http://purl.org/coar/version/c_970fb48d4fbd8a85
dc.type.openaire.fl_str_mv info:eu-repo/semantics/article
format article
dc.identifier.none.fl_str_mv http://hdl.handle.net/10486/706893
https://dx.doi.org/10.1039/d2sc01401g
url http://hdl.handle.net/10486/706893
https://dx.doi.org/10.1039/d2sc01401g
dc.language.none.fl_str_mv Inglés
eng
language_invalid_str_mv Inglés
language eng
dc.relation.none.fl_str_mv European Commission http://dx.doi.org/10.13039/501100000780 Horizon 2020 Framework Programme 805113
dc.rights.none.fl_str_mv open access
http://purl.org/coar/access_right/c_abf2
dc.rights.openaire.fl_str_mv info:eu-repo/semantics/openAccess
rights_invalid_str_mv open access
http://purl.org/coar/access_right/c_abf2
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Royal Society of Chemistry
publisher.none.fl_str_mv Royal Society of Chemistry
dc.source.none.fl_str_mv reponame:Biblos-e Archivo. Repositorio Institucional de la UAM
instname:IAPH
instname_str IAPH
reponame_str Biblos-e Archivo. Repositorio Institucional de la UAM
collection Biblos-e Archivo. Repositorio Institucional de la UAM
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15.301629

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