| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1404785 | Journal of Molecular Structure | 2016 | 8 Pages |
•Bands related to iodine halogen bonds are disguised by iodocyclization products.•2-allylthioquinoline S-complexes with iodine have absorption about 290 and 370 nm.•TD-DFT calculations for iodine complexes are in good agreement with UV/Vis spectra.•UV/Vis spectra allow to control the staging of iodocyclization process.
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.
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