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

Complex [H(dmso)]2[OsIVCl6] ⋅ 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.

Authors
Rudnitskaya O.V. 1 , Tereshina T.A. 1 , Dobrokhotova E.V. 1 , Kultyshkina E.K. 1 , Tskhovrebov A.G. 1, 3 , Khrustalev V.N. 1, 5 , Novikov A.S.2 , Zubavichus Y.V. 4
Journal
ChemistrySelect
Publisher
Wiley-Blackwell
Number of issue
21
Language
English
Pages
5211-5217
Status
Published
Volume
6
Year
2021
Organizations
  • 1 Department of Inorganic Chemistry Peoples' Friendship University of Russia (RUDN University)
  • 2 Semenov Federal Research Center for Chemical Physics|Russian Academy of Sciences
  • 3 Zelinsky Institute of Organic Chemistry RAS Leninsky Prosp. 47
  • 4 Saint Petersburg State University
  • 5 Synchrotron Radiation Facility SKIF|Boreskov Institute of Catalysis|Siberian Branch of the Russian Academy of Sciences
Keywords
Chalcogen bond; DFT calculations.; hydroxy(dimethyl)sulfonium cation; IR spectroscopy; osmium; structure elucidation
Date of creation
16.12.2021
Date of change
16.12.2021
Short link
https://repository.rudn.ru/en/records/article/record/82009/
Share

Other records