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Monoprotonated Dimethyl Sulfoxide, [HOSMe2]+ : Synthesis, Crystal Structure, Spectroscopic and Theoretical Studies of [HOSMe2]2[OsCl6] ⋅ 2H2O. / Rudnitskaya, Olga V.; Tereshina, Tatiana A.; Dobrokhotova, Ekaterina V.; Kultyshkina, Ekaterina K.; Novikov, Alexander S.; Tskhovrebov, Alexander G.; Zubavichus, Yan V.; Khrustalev, Victor N.

In: ChemistrySelect, Vol. 6, No. 21, 08.06.2021, p. 5211-5217.

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Rudnitskaya, Olga V. ; Tereshina, Tatiana A. ; Dobrokhotova, Ekaterina V. ; Kultyshkina, Ekaterina K. ; Novikov, Alexander S. ; Tskhovrebov, Alexander G. ; Zubavichus, Yan V. ; Khrustalev, Victor N. / Monoprotonated Dimethyl Sulfoxide, [HOSMe2]+ : Synthesis, Crystal Structure, Spectroscopic and Theoretical Studies of [HOSMe2]2[OsCl6] ⋅ 2H2O. In: ChemistrySelect. 2021 ; Vol. 6, No. 21. pp. 5211-5217.

BibTeX

@article{0e050ce51a88448f901427fe3eed1885,
title = "Monoprotonated Dimethyl Sulfoxide, [HOSMe2]+: Synthesis, Crystal Structure, Spectroscopic and Theoretical Studies of [HOSMe2]2[OsCl6] ⋅ 2H2O",
abstract = "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.",
keywords = "chalcogen bond, DFT calculations., hydroxy(dimethyl)sulfonium cation, IR spectroscopy, osmium, structure elucidation, COMPLEX, HYDROGEN-CHLORIDE, ACID, MOLECULAR-STRUCTURE, DIMETHYLSULFOXIDE, DFT calculations, BONDS",
author = "Rudnitskaya, {Olga V.} and Tereshina, {Tatiana A.} and Dobrokhotova, {Ekaterina V.} and Kultyshkina, {Ekaterina K.} and Novikov, {Alexander S.} and Tskhovrebov, {Alexander G.} and Zubavichus, {Yan V.} and Khrustalev, {Victor N.}",
note = "Publisher Copyright: {\textcopyright} 2021 Wiley-VCH GmbH",
year = "2021",
month = jun,
day = "8",
doi = "10.1002/slct.202100970",
language = "English",
volume = "6",
pages = "5211--5217",
journal = "ChemistrySelect",
issn = "2365-6549",
publisher = "Wiley-Blackwell",
number = "21",

}

RIS

TY - JOUR

T1 - Monoprotonated Dimethyl Sulfoxide, [HOSMe2]+

T2 - Synthesis, Crystal Structure, Spectroscopic and Theoretical Studies of [HOSMe2]2[OsCl6] ⋅ 2H2O

AU - Rudnitskaya, Olga V.

AU - Tereshina, Tatiana A.

AU - Dobrokhotova, Ekaterina V.

AU - Kultyshkina, Ekaterina K.

AU - Novikov, Alexander S.

AU - Tskhovrebov, Alexander G.

AU - Zubavichus, Yan V.

AU - Khrustalev, Victor N.

N1 - Publisher Copyright: © 2021 Wiley-VCH GmbH

PY - 2021/6/8

Y1 - 2021/6/8

N2 - 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.

AB - 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.

KW - chalcogen bond

KW - DFT calculations.

KW - hydroxy(dimethyl)sulfonium cation

KW - IR spectroscopy

KW - osmium

KW - structure elucidation

KW - COMPLEX

KW - HYDROGEN-CHLORIDE

KW - ACID

KW - MOLECULAR-STRUCTURE

KW - DIMETHYLSULFOXIDE

KW - DFT calculations

KW - BONDS

UR - http://www.scopus.com/inward/record.url?scp=85108155992&partnerID=8YFLogxK

U2 - 10.1002/slct.202100970

DO - 10.1002/slct.202100970

M3 - Article

AN - SCOPUS:85108155992

VL - 6

SP - 5211

EP - 5217

JO - ChemistrySelect

JF - ChemistrySelect

SN - 2365-6549

IS - 21

ER -

ID: 84035569