Bond orders indexes in allylthio(oxy)quinoline complexes with iodine
Автор: Yushina Irina Dmitrievna, Bartashevich Ekaterina Vladimirovna, Kim Dmitriy Gymnanovich
Журнал: Вестник Южно-Уральского государственного университета. Серия: Химия @vestnik-susu-chemistry
Рубрика: Краткие сообщения
Статья в выпуске: 24 (283), 2012 года.
Бесплатный доступ
An analysis of bond orders indexes changes in substituted quinoline systems during formation of charge transfer complexes with iodine was performed. Bond orders for Halogen bonding D...I, (D = N, O, S, C) between electron-donor centers in allyl-substituted thio(oxy)quinolines and iodine were calculated. Quantum-chemical calculations with Density Functional Theory were carried out; electron density characteristics were estimated with QTAIM theory.
Thio(oxy)quinoline derivative, iodine, bond orders indexes, halogen bonding, charge transfer complexes
Короткий адрес: https://sciup.org/147160239
IDR: 147160239
