Solvent effects on the polarizabilities and hyperpolarizabilities of conjugated polymers

Solvent effects on the static polarizabilities and hyperpolarizabilities of conjugated polymers have been studied by means of a semiclassical solvatio n model using results from ab initio calculations. The solvent-induced chan ges of the static polarizabilities show maxima at fairly short oligomer len gths, with the main axial contribution decreasing rapidly to a zero value a t the geometrically nondistorted polymer limit. Different saturation behavi ors of the static polarizabilities of conjugated oligomers in gas phase and in solution are observed. It is concluded that the dipole-dipole interacti on is responsible for the solvent-induced property changes of the oligomers . (C) 1999 American Institute of Physics. [S0021-9606(99)51345-7].