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Title: Electric polarization effects on the electronic spectral shift of centrosymmetric compounds
Authors: Togashi, Denisio M. 
Costa, Sílvia M. B. 
Sobral, Abílio J. F. N. 
Gonsalves, A. M. d'A. R. 
Keywords: Quadrupole moment; Reaction field; Polarization; Dielectric; Solvatochromism
Issue Date: 2004
Citation: Chemical Physics. 300:1-3 (2004) 267-275
Abstract: 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.
DOI: 10.1016/j.chemphys.2004.02.009
Rights: openAccess
Appears in Collections:FCTUC Química - Artigos em Revistas Internacionais

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