Synthesis, characterization and comparative studies of nonlinear optical chromophores with rod-like, Y-shaped and X-shaped configurations

Abstract A series of highly polarizable nonlinear optical (NLO) chromophores ZJ1-4 with three different configurations, including rod-like, Y-shaped and X-shaped configurations, have been synthesized with facile routes and systematically studied. The resulted chromophores exhibited excellent thermal stabilities. The relationship between molecular configuration and NLO activity was analyzed from the theoretical calculation and experiment. The molecular dipole moment of chromophore ZJ4 was enhanced by X-shaped structure with two acceptors. Meanwhile, the tendency of forming anti-parallel interactions could be inhibited by disk-like molecular configuration with larger steric hindrance. ZJ4 exhibits the largest EO activity of 103 pm/V, and both of molecular and material NLO properties are improved for the chromophore ZJ4 with the X-shaped configuration compared with corresponding benchmark chromophore ZJ1 with rod-like molecular structure.