Monoprotonated Dimethyl Sulfoxide, [HOSMe2]~+: Synthesis, Crystal Structure, Spectroscopic and Theoretical Studies of [HOSMe2]2[OsCl6]· 2H2O

摘要

Complex [H(dmso)]2[Os~(IV)Cl6]·2H2O (1) was synthesized by refluxing of [H(dmso)2]2[OsCl6] in concentrated HCl and characterized by the IR and UV/Vis spectroscopy and X-ray powder and single-crystal diffraction studies. In this complex, rare highly electrophilic [Me2S=O…H]~+ cation is stabilized by multiple chalcogen bonds including bifurcated S…(Cl)3 and S…Cl non-covalent interactions. DFT calculations and topological analysis of the electron density distribution within the formalism of Bader’s theory (QTAIM method) support the presence of intermolecular non-covalent interactions S…Cl and O…Cl in the solid state.