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
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