16 October 1998 Theoretical investigation of the second- and third-order nonlinear optical properties of some fused heterocyclic aromatic compounds
Author Affiliations +
Abstract
The results of coupled perturbed Hartree-Fock (CPHF) ab initio extended basis set calculations on the gepmetric structures, dipole moments, static first-order ((alpha) ), second-order ((beta) ), and third-order polarizabilities ((gamma) ) of a series of fused heterocyclic aromatic compounds based on quinoline are reported. The effects of the presence/absence of the nitrogen atom as well as the introduction of other substituents (OH, NH2, NO2) at various positions in the ring system on these molecular properties are described. The effect of the presence of N-oxide is also examined. Suggestions for the design of heterocyclic systems with enhanced polarizabilities are made.
© (1998) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE). Downloading of the abstract is permitted for personal use only.
Mamoun M. Bader, Mamoun M. Bader, } "Theoretical investigation of the second- and third-order nonlinear optical properties of some fused heterocyclic aromatic compounds", Proc. SPIE 3473, Third-Order Nonlinear Optical Materials, (16 October 1998); doi: 10.1117/12.328181; https://doi.org/10.1117/12.328181
PROCEEDINGS
12 PAGES


SHARE
Back to Top