Interaction between a Transition-Metal Fluoride and a Transition-Metal Hydride: Water-Mediated Hydrofluoric Acid Evolution Following Fluoride Solvation

The reaction between the nickel(II) PCP pincer fluoride complex (tBuPCP)Ni(F) and the tungsten(II) carbonyl hydride CpW(H)(CO)3 leads to hydrogen fluoride formation, along with the bimetallic compound [CpW(CO)2(μ-κ,C:κ,O-CO) Ni(tBuPCP)]. The fluoride−hydride interaction is not direct but water-mediated, different from that found for the related hydride−hydride pair. The process has been studied through multinuclear 19F, 31P, and 1H NMR spectroscopy combined with density functional theory calculations, at the M06//6-31+G(d,p) level of theory.