Isomerization Reactions in Anionic Mesoionic Carbene‐Borates and Control of Properties and Reactivities in the resulting CoII Complexes through Agostic Interactions

We present herein anionic borate-based bi-mesoionic carbene compounds of the 1,2,3-triazol-4-ylidene type that undergo C−N isomerization reactions. The isomerized compounds are excellent ligands for CoII centers. Strong agostic interactions with the “C−H”-groups of the cyclohexyl substituents result...

Descripción completa

Detalles Bibliográficos
Autores: Stubbe, Jessica, Neuman, Nicolás Ignacio, Mclellan, Ross, Sommer, Michael, Nößler, Maite, Beerhues, Julia, Mulvey, Robert, Sarkar, Biprajit
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2020
País:Argentina
Institución:Consejo Nacional de Investigaciones Científicas y Técnicas
Repositorio:CONICET Digital (CONICET)
Idioma:inglés
OAI Identifier:oai:ri.conicet.gov.ar:11336/127930
Acceso en línea:http://hdl.handle.net/11336/127930
Access Level:acceso abierto
Palabra clave:COBALT
LIGAND REARRANGEMENT
MESOIONIC CARBENE
REACTIVITY
SPIN STATE
https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
Descripción
Sumario:We present herein anionic borate-based bi-mesoionic carbene compounds of the 1,2,3-triazol-4-ylidene type that undergo C−N isomerization reactions. The isomerized compounds are excellent ligands for CoII centers. Strong agostic interactions with the “C−H”-groups of the cyclohexyl substituents result in an unusual low-spin square planar CoII complex, which is unreactive towards external substrates. Such agostic interactions are absent in the complex with phenyl substituents on the borate backbone. This complex displays a high-spin tetrahedral CoII center, which is reactive towards external substrates including dioxygen. To the best of our knowledge, this is also the first investigation of agostic interactions through single-crystal EPR spectroscopy. We conclusively show here that the structure and properties of these CoII complexes can be strongly influenced through interactions in the secondary coordination sphere. Additionally, we unravel a unique ligand rearrangement for these classes of anionic mesoionic carbene-based ligands.