TY - JOUR
T1 - Experimental determination of the electronic polarizability of quinoline and isoquinoline in solution by three new strategies
AU - Alvarado, Ysaías J.
AU - Cubillán, Néstor
AU - Leal, María G.
AU - Labarca, Paola H.
AU - Michelena, Elba
AU - Marrero Ponce, Yovani
N1 - Funding Information:
Acknowledgements The authors acknowledge to Consejo de Desarrollo Científico y Humanístico (CONDES-LUZ) and Fondo Nacional para la Ciencia y Tecnología (FONACIT) project G-97000593 for partial financial support. We also thank to Dr. Carlos De La Cruz for valuable help in discussion and English corrections.
PY - 2007/9
Y1 - 2007/9
N2 - 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-Krönig 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.
AB - 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-Krönig 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.
KW - Dipole polarizability
KW - Kramers-Krönig relations
KW - Quinoline
KW - Refractometric method
UR - http://www.scopus.com/inward/record.url?scp=34548798649&partnerID=8YFLogxK
U2 - 10.1007/s10953-007-9171-0
DO - 10.1007/s10953-007-9171-0
M3 - Artículo
AN - SCOPUS:34548798649
SN - 0095-9782
VL - 36
SP - 1139
EP - 1155
JO - Journal of Solution Chemistry
JF - Journal of Solution Chemistry
IS - 9
ER -