Insights into the Base-Stabilized Silylene Nature of the Ir--Si Bond in Ir(III)–(κ2-NSi) Complexes with 2-Quinolone and 2-Pyridone Type Ligands

Padilla, Marina (Universidad de Zaragoza) ; Batuecas, María (Universidad de Zaragoza) ; García-Orduña, Pilar ; Oro, Luis A. (Universidad de Zaragoza) ; Fernández-Alvarez, Francisco José (Universidad de Zaragoza)

Resumen: A series of Ir–(κ2‐NSi) complexes with 2‐quinolone type ligands have been prepared and characterized to increase our scope of 16e unsaturated Ir–(κ2‐NSi) species to carry out a comprehensive study of the nature of the Ir--Si bond. Density functional theory calculations with natural bond orbital and quantum theory of atoms in molecules analyses of a range of Ir–silyl(ene) complexes allows the description of the Ir--Si bond of the examinated complexes as a polarized covalent interaction. The findings of this study also suggest that the most accurate description of this bond in the Ir–(κ2‐NSi) complexes is base‐stabilized silylene. Investigating the silicon environment has been the key for determining the nature of the Ir--Si bond. This insight also enables to elucidate the base‐stabilized TM–silylene character in other complexes.

Idioma: Inglés

DOI: 10.1002/ejic.202500294

Año: 2025

Publicado en: European Journal of Inorganic Chemistry 28, 27 (2025), e202500294 [12 pp.]
ISSN: 1434-1948

Financiación: info:eu-repo/grantAgreement/ES/DGA/E42-23R
Financiación: info:eu-repo/grantAgreement/EC/H2020/101034288/EU/International Fellowship Programme for Talent Attraction to the Campus of International Excellence Campus Iberus/IberusExperience
Financiación: info:eu-repo/grantAgreement/ES/MICINN/PID2021-126212OB-I00

Tipo y forma: Artículo (Versión definitiva)

Área (Departamento): Área Química Inorgánica (Dpto. Química Inorgánica)