Spectroscopic and quantum-chemical study of molecular interactions of iso-quinolinium ylids in polar solutions

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Библиографические подробности
Опубликовано в::	Molecular Crystals and Liquid Crystals vol. 696, no. 1 (2020), p. 87
Главный автор:	Babusca, Daniela
Другие авторы:	Morosanu, Ana Cezarina, Dan Gheorghe Dimitriu, Dorohoi, Dana Ortansa, Cheptea, Corina
Опубликовано:	Taylor & Francis Ltd.
Предметы:	Quantum chemistry Charge transfer Solvents Absorption spectra Quantum mechanics Molecular interactions Absorption spectroscopy Hydrogen bonds Hydroxyl groups Environmental
Online-ссылка:	Citation/Abstract
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Описание
Краткий обзор:	Three iso-quinolinium ylids are studied by visible electron absorption spectroscopy from the point of view of their interactions with solvent molecules. The quantum mechanical calculations with Spartan 14 Program and solvatochromism of the intramolecular charge transfer visible absorption band of the studied molecules emphasized the prevalence of universal orientation-induction interactions in aprotic solvents and additionally the presence of hydrogen bond between the ylid molecules and the hydroxyl groups of the solvent molecules. The contribution of each type of interactions in the studied solutions is finally established by a multilinear regression applied to solvatochromic data.
ISSN:	1542-1406 1527-1943
DOI:	10.1080/15421406.2020.1731099
Источник:	Science Database