Imagen de Portada

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

Guardado en:
Publicado en:Molecular Crystals and Liquid Crystals vol. 696, no. 1 (2020), p. 87
Autor principal: Babusca, Daniela
Otros Autores: Morosanu, Ana Cezarina, Dan Gheorghe Dimitriu, Dorohoi, Dana Ortansa, Cheptea, Corina
Publicado:
Taylor & Francis Ltd.
Materias:
Quantum chemistry
Charge transfer
Solvents
Absorption spectra
Quantum mechanics
Molecular interactions
Absorption spectroscopy
Hydrogen bonds
Hydroxyl groups
Environmental
Acceso en línea:Citation/Abstract
Etiquetas: Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!
Resumen: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
Fuente:Science Database