Theoretical investigation of the second- and third-order nonlinear optical properties of some fused heterocyclic aromatic compounds

Mamoun M. Bader

doi:10.1117/12.328181

16 October 1998 Theoretical investigation of the second- and third-order nonlinear optical properties of some fused heterocyclic aromatic compounds

Mamoun M. Bader

Author Affiliations +

Proceedings Volume 3473, Third-Order Nonlinear Optical Materials; (1998) https://doi.org/10.1117/12.328181
Event: SPIE's International Symposium on Optical Science, Engineering, and Instrumentation, 1998, San Diego, CA, United States

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.

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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); https://doi.org/10.1117/12.328181

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