摘要

UV-Vis spectrum and the third-order nonlinear optical properties of the chiral camphor-derived beta-diketonate have been studied at the B3LYP/6-31G* level. The results showed that the introduction of electron-drawing group -CF3 and -C3F7 on beta-diketonate made the strongest absorption peak red-shift and the lowest energy absorption blue-shied. Introduction of -OC2H5 on the benzene or pyridine ring made the lowest energy absorption blue-shift. When the -C2H3 was introduced on the benzene or pyridine ring, the lowest energy absorption was red-shifted. Introduction of electron-donating group on beta-diketonate can enlarge their nonlinear optical properties. On the contrary, the introduction of electron-drawing group dropped it down.