Experimental determination of the electronic polarizability of quinoline and isoquinoline in solution by three new strategies

Alvarado, Ysaias J.; Cubillan, Nestor; Leal, Maria G.; Labarca, Paola H.; Michelena, Elba; Ponce, Yovani Marrero

Abstract

The values of electronic polarizability of quinoline and isoquinoline in extremely diluted liquid solution are reported in this paper. These were obtained by means of three new strategies based on UV-visible-NIR spectroscopy, the Kramers-Kronig relations, high precision densitometry and high exactitude refractometry, which are called here Arakawa's Approximation (AA), Optical Substractive Approximation (OSA) and Optical Differential Approximation (ODA). In general the static electronic polarizability values of solute molecules obtained by ODA and OSA are in excellent agreement with the reported theoretical values at the Density Functional Theory (DFT) level and the Atom monopole-dipole model, but strong discrepancies were observed with the experimental values previously reported for quinoline and isoquinoline using refractometric and electro-optic methods. These differences were interpreted and analyzed in terms of dielectric intermolecular forces, resonant and pre-resonant effects. The AA method is shown to fail in predicting the polarizability of the quinoline and isoquinoline molecules.

Más información

Título según WOS: ID WOS:000249577400007 Not found in local WOS DB
Título de la Revista: JOURNAL OF SOLUTION CHEMISTRY
Volumen: 36
Número: 9
Editorial: SPRINGER/PLENUM PUBLISHERS
Fecha de publicación: 2007
Página de inicio: 1139
Página final: 1155
DOI:

10.1007/s10953-007-9171-0

Notas: ISI