Monoprotonated Dimethyl Sulfoxide, [HOSMe2 ]+ : Synthesis, Crystal Structure, Spectroscopic and Theoretical Studies of [HOSMe2]2 [OsCl6] ⋅ 2H2O | Sciact - CRIS-system of Boreskov Institute of Catalysis

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

Journal

ChemistrySelect
, E-ISSN: 2365-6549

Output data

Year: 2021, Volume: 6, Number: 21, Pages: 5211-5217 Pages count : 7 DOI: 10.1002/slct.202100970

Tags

osmium; hydroxy(dimethyl)sulfonium cation; IR spectroscopy; structure elucidation; chalcogen bond; DFT calculations

Authors

Rudnitskaya Olga V. ¹ , Tereshina Tatiana A. ¹ , Dobrokhotova Ekaterina V. ¹ , Kultyshkina Ekaterina K. ¹ , Novikov Alexander S. ² , Tskhovrebov Alexander G. ^1,3 , Zubavichus Yan V. ⁴ , Khrustalev Victor N. ^1,5

Affiliations

1	Department of Inorganic Chemistry Peoples’ Friendship University of Russia (RUDN University)
2	Saint Petersburg State University
3	Semenov Federal Research Center for Chemical Physics, Russian Academy of Sciences
4	Synchrotron Radiation Facility SKIF, Boreskov Institute of Catalysis, Siberian Branch of the Russian Academy of Sciences
5	Zelinsky Institute of Organic Chemistry RAS

Funding (2)

1	Ministry of Science and Higher Education of the Russian Federation	0239-2021-0002
2	Ministry of Science and Higher Education of the Russian Federation	075-03-2020-223 (FSSF-2020-0017)

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.

Rudnitskaya O.V. , Tereshina T.A. , Dobrokhotova E.V. , Kultyshkina E.K. , Novikov A.S. , Tskhovrebov A.G. , Zubavichus Y.V. , Khrustalev V.N.
Monoprotonated Dimethyl Sulfoxide, [HOSMe2 ]+ : Synthesis, Crystal Structure, Spectroscopic and Theoretical Studies of [HOSMe2]2 [OsCl6] ⋅ 2H2O
ChemistrySelect. 2021. V.6. N21. P.5211-5217. DOI: 10.1002/slct.202100970 WOS Scopus РИНЦ AN OpenAlex publication_identifier_short.sciact_skif_identifier_type

Submitted:	Mar 15, 2021
Accepted:	May 17, 2021
Published online:	Jun 1, 2021
Published print:	Jun 8, 2021

Web of science:	WOS:000663275000008
Scopus:	2-s2.0-85108155992
Elibrary:	46840329
Chemical Abstracts:	2021:1490190
OpenAlex:	W3167576952
publication_identifier.sciact_skif_identifier_type:	480

DB	Citing
Scopus	6
Web of science	6
OpenAlex	6