摘要

A series of chalcone derivatives, were synthesized and a systematic measurement was carried out on their second harmonic generation (SHG) and the cut-off wavelengths. Their second-order nonlinear optical polarizabilities beta were also calculated by CNDO/S-CI method. The properties of these compounds were analyzed and it was found that (1) substituted bromo group in chalcome molecule could improve greatly the microscopic and macroscopic nonlinear optical properties; (2) bromo group is favorable for high transparency and thermal stability of the optical materials, So it can be said that bromo group is an excellent candidate group for designing effective organic nonlinear optical materials, Furthermore, the nonlinear optical properties can also be affected by the crystal structure. The high quality single crystals of BMC were grown by method of solution growth.