Azo-carbazole dye chromophore as promising materials for diffraction grating recording

摘要

Azo-carbazoles dyes were synthesized. These materials are promising for diffraction gratings recording and for the quantum electronic devices. In this work second-order nonlinear optical optical features of such dyes were studied both theoretically and experimentally. Quantum chemical calculations have been performed using the molecular dynamics, applying geometrical optimization through (MM+) force field method (all-atom force-field model), semi-empirical Allinger method (AM1) and finally PM3 method.