Structure and properties of 4-phenyl-5H-1,2,3-dithiazole-5-thione polyiodide with S−I+−S bridged complex

Structure and properties of 4-phenyl-5H-1,2,3-dithiazole-5-thione polyiodide with S−I+−S bridged complex Full article

Journal

Structural Chemistry
ISSN: 1572-9001 , E-ISSN: 1040-0400

Output data

Year: 2020, Volume: 31, Number: 5, Pages: 1729-1737 Pages count : 9 DOI: 10.1007/s11224-020-01584-y

Authors

Bol’shakov O.I. ¹ , Yushina I.D. ² , Stash A.I. ¹ , Aysin R.R. ³ , Bartashevich E.V. ² , Rakitin O.A. ⁴

Affiliations

1	South Ural State University, Lenin Pr., 76, 454080, Chelyabinsk, Russia
2	South Ural State University, Chelyabinsk, Russia
3	A.N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, Moscow, Russia
4	N.D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, 119991, Moscow, Russia

Treatment of 4-phenyl-5H-1,2,3-dithiazole-5-thione with iodine in acetonitrile yielded crystalline product with thione-iodonium three-center halogen bond and triiodide anion bound with two iodine molecules by the typical halogen bonds. At the level of a theoretical study of electron density and its gradients, the similarity of electronic properties of the central iodine atom in bridged moiety [S−I−S]+ and in triiodide anion [I−I−I]− has been illustrated. The experimental and theoretical Raman spectra of iodonium salt are discussed: the assignment of the bands corresponding to the iodonium bridged fragment vibrations has been made on the basis of calculated ab initio data.

Bol’shakov O.I. , Yushina I.D. , Stash A.I. , Aysin R.R. , Bartashevich E.V. , Rakitin O.A.
Structure and properties of 4-phenyl-5H-1,2,3-dithiazole-5-thione polyiodide with S−I+−S bridged complex
Structural Chemistry. 2020. V.31. N5. P.1729-1737. DOI: 10.1007/s11224-020-01584-y WOS Scopus OpenAlex

Web of science:	WOS:000546890500001
Scopus:	2-s2.0-85087615714
OpenAlex:	W3040602172

DB	Citing
OpenAlex	25
Scopus	18
Web of science	17