Allyl vs ethyl substituted thioquinoline complexes with diiodine: Halogen bonds and iodocyclization

authors	Matveychuk, YV; Ilkaeva, MV; Vershinina, EA; Batalov, VI; Morozov, RS; Bartashevich, EV
nationality	International
journal	JOURNAL OF MOLECULAR STRUCTURE
author keywords	Electronic absorption spectra; Iodine halogen bonds; Alkenylthioquinolines
keywords	ULTRAVIOLET-ABSORPTION SPECTRA; INTERACTION PRODUCT; UV/VIS SPECTRA; TRIIODIDE ION; IODINE; DENSITY; MOLECULES; MODEL; RAMAN
abstract	A comparative analysis of 2-allylthioquinoline and 2-ethylthioquinoline interactions with diiodine in solutions was performed using UV/Vis spectroscopy and molecular modelling with a TD-DFT approach. The named compounds exhibit different reactivity: 2-allylthioquinoline participates in the iodocyclization reaction and 2-ethylthioquinoline forms molecular complexes with diiodine only. The emergences of iodocyclization products and diiodine complexes of alkyl- and alkeny lsubstituted thioquinolines on spectra allow us to enable process control of interactions with diiodine. (c) 2016 Elsevier B.V. All rights reserved.
publisher	ELSEVIER SCIENCE BV
issn	0022-2860
year published	2016
volume	1119
beginning page	227
ending page	234
digital object identifier (doi)	10.1016/j.molstruc.2016.04.072
web of science category	Chemistry, Physical
subject category	Chemistry
unique article identifier	WOS:000378360000027
link	https://www.sciencedirect.com/science/article/pii/S0022286016304082?via%3Dihub