Work

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

Year: 2025

Type: article

Abstract: 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.

Source: European Journal of Inorganic Chemistry

DOI: 10.1002/ejic.202500294

Authors: Marina Padilla, María Batuecas, Pilar García‐Orduña, Luis A. Oro, Francisco José Fernández‐Alvarez

Institutions: Universidad de Zaragoza, Instituto de Síntesis Química y Catálisis Homogénea

Language: English

Topic: Synthesis and characterization of novel inorganic/organometallic compounds

Subfield: Inorganic Chemistry

Field: Chemistry

Domain: Physical Sciences

Open Access status: hybrid

Estimated APC paid: $4,050

Funders: Universidad de Zaragoza, Gobierno de Aragón, Agencia Estatal de Investigación