SYNTHESIS, EXPERIMENTAL AND DFT STUDIES ON THE CRYSTAL STRUCTURE, FTIR, ¹H NMR AND 13C NMR SPECTRA OF DRIVATIVES OF DIHYDROPYRIDINES

Journal of The Chilean Chemical Society

NIKPASSAN, MOHAMMAD¹  FEKRI, LEILA ZARE² 

[1] Islamic Azad University, Rasht, Iran;Payame Noor University, Tehran, Iran

关键词: dihydropyridines;    nano-;    Fe3O4;    FTIR;    DFT;    B3LYP;    NMR.;   

DOI  :  10.4067/S0717-97072012000400017

学科分类：化学（综合）

来源: Sociedad Chilena de Quimica

【 摘 要 】

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.

【 授权许可】

Unknown