Abstract:A novel second-order nonlinear optical chromophore (DCDHF-2-V) was synthesized from 3-Hydroxy-3-methyl-2-butanae, propanedinitrile and 4-diethylaminobenzaldehyde by aldol condensation reaction. Molecular structural characterization was investigated by elemental analysis, FTIR, and 1H-NMR spectra. The melting point obtained from DSC thermogram was almost 251 °C, and the compound shows a thermal stability up to 270 °C. Second-order NLO properties of the chromophore were measured by solvatochromic method. From the quantum-mechanical two-level model, it can be obtained that the μg β value of DCDHF-2-V is 6520 × 10−48esu at the wavelength of 1064 nm.