期刊
JOURNAL OF THE CHILEAN CHEMICAL SOCIETY
卷 57, 期 4, 页码 1415-1421出版社
SOC CHILENA QUIMICA
DOI: 10.4067/S0717-97072012000400017
关键词
dihydropyridines; nano-Fe3O4; FTIR; DFT; B3LYP; NMR
资金
- Research Committee of Islamic Azad University of Rasht Branch
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, H-1 NMR and C-13 NMR. Density Functional Theory (DFT) calculations at the B3LYP level is used to optimize the geometries of isolated molecules, and to calculate the, FTIR, H-1 NMR and C-13 NMR spectra of selected synthesized compounds. We found that the DFT B3LYP calculated FTIR, H-1 NMR and C-13 NMR spectra are in accordance with the experimental data.
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