Electric polarization effects on the electronic spectral shift of centrosymmetric compounds

• Autor(a) principal: Togashi, Denisio M.
• Data de Publicação: 2004
• Outros Autores: Costa, Sílvia M. B., Sobral, Abílio J. F. N., Gonsalves, A. M. d'A. R.
• Tipo de documento: Artigo
• Idioma: eng
• Título da fonte: Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
• Texto Completo: http://hdl.handle.net/10316/5134; https://doi.org/10.1016/j.chemphys.2004.02.009
• topic: Quadrupole moment; Reaction field; Polarization; Dielectric; Solvatochromism

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.