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

Abstract

Complex [H(dmso)] 2 [Os IV Cl 6 ] ⋅ 2H 2 O (1) was synthesized by refluxing of [H(dmso) 2 ] 2 [OsCl 6 ] 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 [Me 2 S=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.

First Iridium(IV) Chloride–Dimethyl Sulfoxide Complex [H(dmso)2][IrCl5(dmso-κO)]: Synthesis and Structure along with Novel Polymorph Modifications of [H(dmso)2][trans-IrCl4(dmso-κS)2] and [H(dmso)][trans-IrCl4(dmso-κS)2]

“…There are a few compounds of other platinum metals containing the [H­(dmso)] + cation, − in particular, [H­(dmso)]­[ trans- Ru III Cl 4 (dmso-κS) 2 ] . The ruthenium compound is isostructural to 3 .…”

Modeling of magnesium-decorated graphene quantum dot nanostructure for trapping AsH3, PH3and NH3gases

“…71 Topological parameters at the BCPs, such as the density of electrons r(r), Laplacian electron density V 2 r(r), Lagrangian kinetic energy G(r), potential electron energy density V(r), total electron energy density H(r), Eigenvalues (l 1 , l 2 , l 3 ), and the ellipticity 3 are vital parameters in determining the nature of interactions. 72,73 The values of these parameters as calculated at the WB97XD/6-311++ (2d,2p) level of theory are presented in Table 4, and the corresponding QTAIM graph is shown in Fig. 4.…”

Chemical Evolution in Solutions of Ir Complex [H(dmso)2]2[IrCl6]. Structures of [H(dmso)2]2[IrCl6], [H(dmso)][IrCl4(dmso)2], [Me2SCH2C(O)Me][IrCl4(dmso)2], [Me2SCH2C(O)Me]2[IrCl6] and Its Os Analogue

“…H-bound DMSO dimers [H(dmso) 2 ] + are much more frequently observed in acidified DMSO solutions. Still, several compounds containing this cation were reported, [43][44][45][46] in particular, [H(dmso)][Ru III Cl 4 (dmso) 2 ]. [44] Despite the nominally identical stoichiometry and similar molecular geometries, the iridium and ruthenium compounds are crystallized in different space groups.…”