2,3,4,5-Tetraiodopyrrole as a building block for halogen bonding: Formation of supramolecular hybrids with organic iodide salts in solid state

dc.contributor.author	Bondarenko M.A.
dc.contributor.author	Novikov A.S.
dc.contributor.author	Abramov P.A.
dc.contributor.author	Sakhapov I.F.
dc.contributor.author	Sokolov M.N.
dc.contributor.author	Adonin S.A.
dc.date.accessioned	2022-02-09T20:31:21Z
dc.date.available	2022-02-09T20:31:21Z
dc.date.issued	2021
dc.identifier.issn	0022-2860
dc.identifier.uri	https://dspace.kpfu.ru/xmlui/handle/net/168728
dc.description.abstract	Reactions of tri(n-propyl)ammonium (1) or 1,3,5-trimethylpyridinium (2) iodides with 2,3,4,5-tetraiodopyrrole (TIP) results in formation of hybrids CatI•TIP•xEtOH (X = 0.5 (1) and 0.33 (2), respectively) which feature strong halogen bonding (XB) between I atoms of TIP and iodide anions. DFT calculations reveal that XB energies are up to 4.3 kcal/mol.
dc.relation.ispartofseries	Journal of Molecular Structure
dc.subject	2,3,4,5-Tetraiodopyrrole
dc.subject	DFT calculations
dc.subject	Halogen bonding
dc.subject	Non-covalent interactions
dc.subject	Supramolecular chemistry
dc.title	2,3,4,5-Tetraiodopyrrole as a building block for halogen bonding: Formation of supramolecular hybrids with organic iodide salts in solid state
dc.type	Article
dc.relation.ispartofseries-volume	1230
dc.collection	Публикации сотрудников КФУ
dc.source.id	SCOPUS00222860-2021-1230-SID85099609030

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