Resumen de Synthesis, experimental and dft studies on the crystal structure, ftir, ¹h nmr and 13c nmr spectra of drivatives of dihydropyridines

Leila Zare Fekri, Mohammad Nikpassand

• Several derivatives of dihydropyridines are prepared through the condensation of aldehydes, dimedone and NH4OAc in H2O, in the presence of a catalytic amount of nano-Fe3O4. The crystalline products were characterized by FTIR, ¹H NMR and 13C NMR. Density Functional Theory (DFT) calculations at the B3LYP level is used to optimize the geometries of isolated molecules, and to calculate the, FTIR, ¹H NMR and 13C NMR spectra of selected synthesized compounds. We found that the DFT B3LYP calculated FTIR, ¹H NMR and 13C NMR spectra are in accordance with the experimental data.