Curcumin dye was extracted from turmeric and purified. Also, some curcumin analogous which have similar structures with different functional groups, and \(\pi\) electrons length extension were synthesized. The chemical structure of these molecules was investigated and characterized by UV–Vis, ¹H NMR, and IR spectroscopies. The obtained UV–Vis spectra indicated that the strong electron-donating groups on aryl rings of these molecules enhance the intensity of λ_max and shift it toward the lower absorption energy. The conformation and structure of these molecules were investigated in solution and on the TiO₂ anatase surfaces. Accordingly, three conformations could be existed in the solution including Cis-Enol, Keto, and twisted (in nanoparticles). Also, these molecules anchor on the TiO₂ surface in a monodentate and bidentate chelating mode, depending on the TiO₂ surface sites. Furthermore, the application of these molecules as dye in the dye-sensitized solar cell was studied. The observed data indicated that the best efficiency belongs to the 1,7-bis(4-dimethylaminophenyl)-1,6-heptadiene-3,5-dione dye (A3) which has strong electron-donating group (dimethylamine) on the para phenyl ring of the compound. Also, the appropriate IPCE of the A3 dye in the 460 nm (90%electron injection efficiency), demonstrate that the β-dicarbonyl group is suitable anchoring group for DSSC application.