Theoretical study on stabilization and nonlinear optical properties of configuration isomer of Schiff base of the condensation of salicylaldehyde with aniline

The energy, structure and nonlinear optical susceptibilities of stable conf iguration several isomers of were studied by quantum chemical finite field method and semiempirical method. The effect of hydrogen bond and process of hydrogen transfer on stability of the system and nonlinear optical propert y was discussed. On the basis of those metioned above the nonlinear optical susceptibilities obtained in this pater were compared with those oblained by ab initio HF method. As a result, the shiff base from condensation betwe en salicylaldehyde and aniline bears a better nonlinear optical property, e specially the second nonlinear optical property. This kind of compounds wil l become possibly a nicer optical material.