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Electric polarization effects on the electronic spectral shift of centrosymmetric compounds
Authors:Denisio M Togashi, S&#x  &#x  lvia M.B Costa, Ab&#x  &#x  lio J.F.N Sobral,A.M.D'A.R Gonsalves
Affiliation:

a Centro de Química Estrutural, Complexo I – Instituto Superior Técnico, 1049-001, Lisbon, Portugal

b Departamento de Química, Universidade de Coimbra, P-3000, Coimbra, Portugal

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.
Keywords:Author Keywords: Quadrupole moment   Reaction field   Polarization   Dielectric   Solvatochromism
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