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 solvation model using results from ab initio calculations. The solvent-induced changes of the static polarizabilities show maxima at fairly short oligomer lengths, with the main axial contribution decreasing rapidly to a zero value at the geometrically nondistorted polymer limit. Different saturation behaviors of the static polarizabilities of conjugated oligomers in gas phase and in solution are observed. It is concluded that the dipole-dipole interaction is responsible for the solvent-induced property changes of the oligomers. (C) 1999 American Institute of Physics. [S0021-9606(99)51345-7].