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

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.

keywords

ULTRAVIOLET-ABSORPTION SPECTRA; INTERACTION PRODUCT; UV/VIS SPECTRA; TRIIODIDE ION; IODINE; DENSITY; MOLECULES; MODEL; RAMAN

subject category

Chemistry

authors

Matveychuk, YV; Ilkaeva, MV; Vershinina, EA; Batalov, VI; Morozov, RS; Bartashevich, EV

our authors

acknowledgements

This work was supported by the Russian Foundation for Basic Research, grant 14-03-00961.

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