Heteroleptic Anionic Cobalt(II) Pivalate Complex with a Bridging Trimethylsiloxy Ligand: Synthesis, Structure, and Formation Mechanism

The heteroleptic anionic complex (IPrPhH)[Co-2(mu-Piv)(2)(mu-OSiMe3)(Piv)(2)] (I) was synthesized through the reaction of cobalt pivalate [Co(Piv)(2)](n) with 1,3-bis(2,6-diisopropylphenyl)-2-phenylimidazolium iodide ([IPrPhH]I) and KN(SiMe3)(2) and studied by X-ray diffraction both in the solvate-free form and in the form of solvate with pentane (I center dot 0.75C(5)H(12)) (CCDC 2257678-2257679). Modeling of the probable mechanism of formation of complex I and evaluation of exchange coupling between paramagnetic centers in it were carried out by density functional theory method.