163814 20251204145008.0 doi 10.1002/ejic.202500294 sideral 145845 ART-2025-145845 eng Padilla, Marina Universidad de Zaragoza 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 2025 Access copy available to the general public Unrestricted 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. info:eu-repo/grantAgreement/ES/DGA/E42-23R info:eu-repo/grantAgreement/EC/H2020/101034288/EU/International Fellowship Programme for Talent Attraction to the Campus of International Excellence Campus Iberus/IberusExperience This project has received funding from the European Union’s Horizon 2020 research and innovation program under grant agreement No H2020 101034288-IberusExperience info:eu-repo/grantAgreement/ES/MICINN/PID2021-126212OB-I00 info:eu-repo/semantics/openAccess by-nc-nd https://creativecommons.org/licenses/by-nc-nd/4.0/deed.es info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion Batuecas, María Universidad de Zaragoza (orcid)0000-0002-1430-1440 García-Orduña, Pilar (orcid)0000-0002-7063-1292 Oro, Luis A. Universidad de Zaragoza (orcid)0000-0001-7154-7239 Fernández-Alvarez, Francisco José Universidad de Zaragoza (orcid)0000-0002-0497-1969 2010 760 Universidad de Zaragoza Dpto. Química Inorgánica Área Química Inorgánica 28, 27 (2025), e202500294 [12 pp.] Eur. j. inorg. chem. European Journal of Inorganic Chemistry 1434-1948 1028247 http://zaguan.unizar.es/record/163814/files/texto_completo.pdf Versión publicada 2776577 http://zaguan.unizar.es/record/163814/files/texto_completo.jpg?subformat=icon icon Versión publicada oai:zaguan.unizar.es:163814 articulos driver 2025-12-04-14:45:27 ARTICLE