Inorganic Chemistry, Vol.58, No.8, 4712-4717, 2019
Iridium-Promoted B-B Bond Activation: Preparation and X-ray Diffraction Analysis of a mer-Tris(boryl) Complex
The tris(boryl) complex Ir(Bcat)(3){kappa(3)-P,O,P-[xant((PPr2)-Pr-i)(2)]} [Bcat = catecholboryl; xant((PPr2)-Pr-i)(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 similar to 0.1 angstrom 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 pi-back-donation from the metal to the p(z) atomic orbital of the boron atom decreases similar to 43% in the longer bonds with respect to the shorter one, while the level of sigma-bonding interaction diminishes by only similar to 8%.