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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Detalles Bibliográficos
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
Descripción
Sumario: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