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Título: | Iridium-promoted B–B bond activation: Preparation and X-ray diffraction analysis of a mer-tris(boryl) complex |
Autor: | Esteruelas, Miguel A. CSIC ORCID; Fernández, Israel; Martínez, Antonio CSIC ORCID; Oliván, Montserrat CSIC ORCID ; Oñate, Enrique CSIC ORCID; Vélez, Andrea CSIC ORCID | Fecha de publicación: | 2019 | Editor: | American Chemical Society | Citación: | Inorganic Chemistry 58(8): 4712-4717 (2019) | Resumen: | The tris(boryl) complex Ir(Bcat)3{κ3-P,O,P-[xant(PiPr2)2]} [Bcat = catecholboryl; xant(PiPr2)2 = 9,9-dimethyl-4,5-bis(diisopropylphosphino)xanthene] has been prepared and characterized by X-ray diffraction analysis. The boryl ligands are disposed in a mer arrangement. The Ir–B bonds situated mutually trans are ∼0.1 Å longer than that disposed cis to the other two. An energy decomposition analysis method coupled to natural orbitals for chemical valence has revealed that the level of π-back-donation from the metal to the pz atomic orbital of the boron atom decreases ∼43% in the longer bonds with respect to the shorter one, while the level of σ-bonding interaction diminishes by only ∼8%. | Versión del editor: | https://doi.org/10.1021/acs.inorgchem.9b00339 | URI: | http://hdl.handle.net/10261/180448 | DOI: | 10.1021/acs.inorgchem.9b00339 | ISSN: | 0020-1669 | E-ISSN: | 1520-510X |
Aparece en las colecciones: | (ISQCH) Artículos |
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trisboryl manuscript-REVISED.pdf | 293,89 kB | Adobe PDF | Visualizar/Abrir |
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