@article{aad190e05b20429ab34e4153c7bd1911,
title = "Halogen···halogen contacts in triiodide salts of pyridinium-derived cations: Theoretical and spectroscopic studies",
abstract = "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 {\AA}, respectively), while in 3 triiodides remain isolated. The features of I⋯I contacts were studied by theoretical methods and Raman spectroscopy.",
keywords = "DFT calculations contacts, Halogen bonding, Non-covalent interactions, Polyhalogens, Raman spectroscopy, INTERPLAY, RAMAN-SPECTROSCOPY, COMPLEXES, IODINE, NONCOVALENT INTERACTIONS, BROMINE, CRYSTALS, STRUCTURAL PROOF, LIQUID-BASED SYNTHESIS, BOND",
author = "Usoltsev, {Andrey N.} and Novikov, {Alexander S.} and Kolesov, {Boris A.} and Chernova, {Katerina V.} and Plyusnin, {Pavel E.} and Fedin, {Vladimir P.} and Sokolov, {Maxim N.} and Adonin, {Sergey A.}",
note = "Publisher Copyright: {\textcopyright} 2020 Elsevier B.V. Copyright: Copyright 2020 Elsevier B.V., All rights reserved.",
year = "2020",
month = jun,
day = "5",
doi = "10.1016/j.molstruc.2020.127949",
language = "English",
volume = "1209",
journal = "Journal of Molecular Structure",
issn = "0022-2860",
publisher = "Elsevier",
}