Solvent-Assisted N-O Bond Cleavage and Metal-Metal Bond Formation in the Reduction of Binuclear Nitrosyl Complexes [M₂Cp₂(μ-X)(μ-P<i>^t</i>Bu₂)(NO)₂] (MX = MoCl, WI): An Experimental and Theoretical Study.

ABSTRACT: Reaction of [Mo₂Cp₂(μ-Cl)(μ-P^tBu₂)(NO)₂] with Na(Hg) in tetrahydrofuran gave a very air-sensitive species formulated as the oxido-nitrido radical [Mo₂Cp₂(N)(μ-O)(μ-P^tBu₂)(NO)] according to density functional theory (DFT) calculations, which follows from a fast N-O bond cleavage of a nitrosyl ligand. Reaction of the latter with (NH₄)PF₆ yielded the diamagnetic cation [Mo₂Cp₂(μ-N)(O)(μ-P^tBu₂)(NO)]⁺ as a mixture of cis and trans isomers, which display bent-bridging nitrido and terminal oxido ligands, isolated as the corresponding BAr'₄^- salts (Ar' = 3,5-C₆

SUBMITTER: Alvarez MA 

PROVIDER: S-EPMC12406184 | biostudies-literature | 2025 Sep

REPOSITORIES: biostudies-literature