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

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 B3...

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Autores principales:	FEKRI,LEILA ZARE, NIKPASSAN,MOHAMMAD
Lenguaje:	English
Publicado:	Sociedad Chilena de Química 2012
Materias:	dihydropyridines nano-Fe3O4 FTIR DFT B3LYP NMR
Acceso en línea:	http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072012000400017
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spelling	oai:scielo:S0717-970720120004000172013-04-04SYNTHESIS, EXPERIMENTAL AND DFT STUDIES ON THE CRYSTAL STRUCTURE, FTIR, ¹H NMR AND 13C NMR SPECTRA OF DRIVATIVES OF DIHYDROPYRIDINESFEKRI,LEILA ZARENIKPASSAN,MOHAMMAD dihydropyridines nano-Fe3O4 FTIR DFT B3LYP NMR 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.info:eu-repo/semantics/openAccessSociedad Chilena de QuímicaJournal of the Chilean Chemical Society v.57 n.4 20122012-01-01text/htmlhttp://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072012000400017en10.4067/S0717-97072012000400017
institution	Scielo Chile
collection	Scielo Chile
language	English
topic	dihydropyridines nano-Fe3O4 FTIR DFT B3LYP NMR
spellingShingle	dihydropyridines nano-Fe3O4 FTIR DFT B3LYP NMR FEKRI,LEILA ZARE NIKPASSAN,MOHAMMAD SYNTHESIS, EXPERIMENTAL AND DFT STUDIES ON THE CRYSTAL STRUCTURE, FTIR, ¹H NMR AND 13C NMR SPECTRA OF DRIVATIVES OF DIHYDROPYRIDINES
description	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.
author	FEKRI,LEILA ZARE NIKPASSAN,MOHAMMAD
author_facet	FEKRI,LEILA ZARE NIKPASSAN,MOHAMMAD
author_sort	FEKRI,LEILA ZARE
title	SYNTHESIS, EXPERIMENTAL AND DFT STUDIES ON THE CRYSTAL STRUCTURE, FTIR, ¹H NMR AND 13C NMR SPECTRA OF DRIVATIVES OF DIHYDROPYRIDINES
title_short	SYNTHESIS, EXPERIMENTAL AND DFT STUDIES ON THE CRYSTAL STRUCTURE, FTIR, ¹H NMR AND 13C NMR SPECTRA OF DRIVATIVES OF DIHYDROPYRIDINES
title_full	SYNTHESIS, EXPERIMENTAL AND DFT STUDIES ON THE CRYSTAL STRUCTURE, FTIR, ¹H NMR AND 13C NMR SPECTRA OF DRIVATIVES OF DIHYDROPYRIDINES
title_fullStr	SYNTHESIS, EXPERIMENTAL AND DFT STUDIES ON THE CRYSTAL STRUCTURE, FTIR, ¹H NMR AND 13C NMR SPECTRA OF DRIVATIVES OF DIHYDROPYRIDINES
title_full_unstemmed	SYNTHESIS, EXPERIMENTAL AND DFT STUDIES ON THE CRYSTAL STRUCTURE, FTIR, ¹H NMR AND 13C NMR SPECTRA OF DRIVATIVES OF DIHYDROPYRIDINES
title_sort	synthesis, experimental and dft studies on the crystal structure, ftir, ¹h nmr and 13c nmr spectra of drivatives of dihydropyridines
publisher	Sociedad Chilena de Química
publishDate	2012
url	http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072012000400017
work_keys_str_mv	AT fekrileilazare synthesisexperimentalanddftstudiesonthecrystalstructureftir1hnmrand13cnmrspectraofdrivativesofdihydropyridines AT nikpassanmohammad synthesisexperimentalanddftstudiesonthecrystalstructureftir1hnmrand13cnmrspectraofdrivativesofdihydropyridines
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SYNTHESIS, EXPERIMENTAL AND DFT STUDIES ON THE CRYSTAL STRUCTURE, FTIR, ¹H NMR AND 13C NMR SPECTRA OF DRIVATIVES OF DIHYDROPYRIDINES

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