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Proceedings Paper

Theoretical investigation of the second- and third-order nonlinear optical properties of some fused heterocyclic aromatic compounds
Author(s): Mamoun M. Bader
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Paper 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.

Paper Details

Date Published: 16 October 1998
PDF: 12 pages
Proc. SPIE 3473, Third-Order Nonlinear Optical Materials, (16 October 1998); doi: 10.1117/12.328181
Show Author Affiliations
Mamoun M. Bader, The Pennsylvania State Univ. (United States)

Published in SPIE Proceedings Vol. 3473:
Third-Order Nonlinear Optical Materials
Mark G. Kuzyk, Editor(s)

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