Electric polarization effects on the electronic spectral shift of centrosymmetric compounds

The classic dielectric dipolar Onsager model was extended to include quadrupolar interactions between solute molecules and solvents with different polarities. A multiparametric solvatochromic expression, based on the point quadrupole moment inside a spherical cavity embedded in a dielectric continuu...

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Bibliographic Details
Main Author: Togashi, Denisio M. (author)
Other Authors: Costa, Sílvia M. B. (author), Sobral, Abílio J. F. N. (author), Gonsalves, A. M. d'A. R. (author)
Format: article
Language:eng
Published: 2004
Subjects:
Online Access:http://hdl.handle.net/10316/5134
Country:Portugal
Oai:oai:estudogeral.sib.uc.pt:10316/5134
Description
Summary:The classic dielectric dipolar Onsager model was extended to include quadrupolar interactions between solute molecules and solvents with different polarities. A multiparametric solvatochromic expression, based on the point quadrupole moment inside a spherical cavity embedded in a dielectric continuum, is applied to centrosymmetric sulfonamide porphyrins, zinc tetraphenyl porphyrin, squaraine and 9,10-dicyanoanthracene, in order to account for the quadrupolar polarization effect of solute molecules. The reaction field polarity functions created respectively by dipole and quadrupole moments are compared and found to be linearly correlated.