Abstract

We present calculations of the optical nonlinarities of substituted aromatic molecules. We investigate the case of para-substitution (Fig. 1a), and hexa-substitution (Fig. 1b). The absence of a permanent dipole in the latter case^[1,2] precludes the traditional experimental approach to molecular engineering, which relies on EFISH experiments performed on a series of molecules. Detailed calculations are therefore highly desirable to aid in the optimization of this new class of materials.

© 1992 IQEC