Boehmite nanoparticles (g-AlOOH) have been successfully synthesized by the hydrothermal method at 180 8C using aluminum nitrate, Al(NO 3 ) 3 Á9H 2 O, as the aluminum source and sodium metaborate, NaBO 2 Á4H 2 O, as controlling agent. The size and morphology of boehmite nanoparticles could be controlled by adjusting the pH value of the reaction mixture. The resulting products were characterized by X-ray diffraction (XRD), Fourier transform-infrared spectra (FT-IR), scanning electron microscopy (SEM), UV-Vis spectra, and photoluminescence spectra. The electronic band structure along with density of states (DOS), obtained at the density functional theory (DFT) level indicates that g-AlOOH has a direct energy bandgap of 4.51 eV. The optical properties, including the dielectric, absorption, reflectivity, and energy-loss spectra of the compound are calculated by the DFT method and analyzed based on the electronic structures.