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. © 2021 Wiley-VCH GmbH

Journal
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), 6 Miklukho-Maklaya St, Moscow, 117198, Russian Federation
  • 2 Saint Petersburg State University, Universitetskaya Nab. 7/9, Saint Petersburg, 199034, Russian Federation
  • 3 Semenov Federal Research Center for Chemical Physics, Russian Academy of Sciences, Kosygina 4, Moscow, 119991, Russian Federation
  • 4 Synchrotron Radiation Facility SKIF, Boreskov Institute of Catalysis, Siberian Branch of the Russian Academy of Sciences, Nikolskii pr. 1, Koltsovo, 630559, Russian Federation
  • 5 Zelinsky Institute of Organic Chemistry RAS Leninsky Prosp. 47, Moscow, 119991, Russian Federation
Keywords
chalcogen bond; DFT calculations.; hydroxy(dimethyl)sulfonium cation; IR spectroscopy; osmium; structure elucidation
Date of creation
20.07.2021
Date of change
20.07.2021
Short link
https://repository.rudn.ru/en/records/article/record/74200/
Share

Other records