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

被引：15

作者：

Matveychuk, Y. V. ^{[1
]}

Ilkaeva, M. V. ^{[1
,2
]}

Vershinina, E. A. ^{[1
]}

Batalov, V. I. ^{[1
]}

Morozov, R. S. ^{[1
]}

Bartashevich, E. V. ^{[1
]}

机构：

[1] South Ural State Univ, Dept Chem, Lenin Pr 76, Chelyabinsk 454080, Russia

[2] Univ Oviedo, Dept Organ & Inorgan Chem, E-33006 Oviedo, Spain

来源：

JOURNAL OF MOLECULAR STRUCTURE | 2016年 / 1119卷

基金：

俄罗斯基础研究基金会;

关键词：

Electronic absorption spectra; Iodine halogen bonds; Alkenylthioquinolines; ULTRAVIOLET-ABSORPTION SPECTRA; INTERACTION PRODUCT; UV/VIS SPECTRA; TRIIODIDE ION; IODINE; DENSITY; MOLECULES; MODEL; RAMAN;

D O I：

10.1016/j.molstruc.2016.04.072

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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.

引用

页码：227 / 234

页数：8

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