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

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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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  • Публикации сотрудников КФУ Scopus [22633]
    Коллекция содержит публикации сотрудников Казанского федерального (до 2010 года Казанского государственного) университета, проиндексированные в БД Scopus, начиная с 1970г.

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