Halogen···halogen contacts in triiodide salts of pyridinium-derived cations: Theoretical and spectroscopic studies

dc.contributor.author	Usoltsev A.N.
dc.contributor.author	Novikov A.S.
dc.contributor.author	Kolesov B.A.
dc.contributor.author	Chernova K.V.
dc.contributor.author	Plyusnin P.E.
dc.contributor.author	Fedin V.P.
dc.contributor.author	Sokolov M.N.
dc.contributor.author	Adonin S.A.
dc.date.accessioned	2021-02-24T20:32:59Z
dc.date.available	2021-02-24T20:32:59Z
dc.date.issued	2020
dc.identifier.issn	0022-2860
dc.identifier.uri	https://dspace.kpfu.ru/xmlui/handle/net/160827
dc.description.abstract	© 2020 Elsevier B.V. Triiodide salts of pyridinium-type cations CatI3 (cat = 1,2-MePy (1), 1,2,6-MePy (2) and 1,2,4,6-MePy (3) were prepared and characterized by X-ray diffractometry. In the cases of 1 and 2, formation of supramolecular anionic dimers {(I3)2}2- was observed in solid state (I⋯I = 3.685 and 3.912 Å, respectively), while in 3 triiodides remain isolated. The features of I⋯I contacts were studied by theoretical methods and Raman spectroscopy.
dc.relation.ispartofseries	Journal of Molecular Structure
dc.subject	DFT calculations contacts
dc.subject	Halogen bonding
dc.subject	Non-covalent interactions
dc.subject	Polyhalogens
dc.subject	Raman spectroscopy
dc.title	Halogen···halogen contacts in triiodide salts of pyridinium-derived cations: Theoretical and spectroscopic studies
dc.type	Article
dc.relation.ispartofseries-volume	1209
dc.collection	Публикации сотрудников КФУ
dc.source.id	SCOPUS00222860-2020-1209-SID85079858021

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