Synthesis and DFT Study of the Complexation of Schiff Base Derived Curcumin and L-Tyrosine with Al(III), Ag(I), and Pb(II) Metal Ions

The multi-dentate Schiff base ligand (H2L), where H2L=2,2'-(((1,3,5,6)-1-(3-((l1-oxidaneyl)-l5-methyl)-4-hydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-diylidene)bis(azaneylylidene))bis(3-(4-hydroxyphenyl)propanoic acid), has been prepared from curcumin and L- Tyrosine amino ac...

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Autores principales:	Ali Mahmood Ali, Tagreed Hashim Al-Noor, Eid Abdalrazaq, Abdel Aziz Qasem Jbarah
Formato:	article
Lenguaje:	EN
Publicado:	Department of Chemistry, Universitas Gadjah Mada 2021
Materias:	curcumin l-tyrosine silver aluminium lead schiff base Chemistry QD1-999
Acceso en línea:	https://doaj.org/article/4d315dcd6f66435687f8c52b9c18f65a
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spelling	oai:doaj.org-article:4d315dcd6f66435687f8c52b9c18f65a2021-12-02T18:25:26ZSynthesis and DFT Study of the Complexation of Schiff Base Derived Curcumin and L-Tyrosine with Al(III), Ag(I), and Pb(II) Metal Ions1411-94202460-157810.22146/ijc.62188https://doaj.org/article/4d315dcd6f66435687f8c52b9c18f65a2021-04-01T00:00:00Zhttps://jurnal.ugm.ac.id/ijc/article/view/62188https://doaj.org/toc/1411-9420https://doaj.org/toc/2460-1578The multi-dentate Schiff base ligand (H2L), where H2L=2,2'-(((1,3,5,6)-1-(3-((l1-oxidaneyl)-l5-methyl)-4-hydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-diylidene)bis(azaneylylidene))bis(3-(4-hydroxyphenyl)propanoic acid), has been prepared from curcumin and L- Tyrosine amino acid. The synthesized Schiff base ligand (H2L) and the second ligand 1,10-phenanthroline (phen) are used to prepare the new complexes [Al(L)(phen)]Cl, K[Ag(L)(phen)] and [Pb(L)(phen)]. The synthesized compounds are characterized by magnetic susceptibility measurements, micro elemental analysis (C.H.N), mass spectrometry, molar conductance, FT-infrared, UV-visible, atomic absorption (AA), 13C-NMR, and 1H-NMR spectral studies. The characterization of the synthesized complexes shows that the environment surrounding the central metal ion in the complexes adopted a distorted octahedral configuration. Moreover, the conductivity measurements show a non-electrolytic character for the [Pb(L)(phen)] complex and an electrolytic character for the [Al(L)(phen)]Cl and K[Ag(L)(phen)] complexes. The experimental infrared data are supported by density functional theory (DFT) calculations using the B3LYP level of theory and LANL2DZ basis set. The vibrational frequencies of the molecules are computed using the optimized geometry obtained from the DFT calculations. The calculated vibrational frequencies have been compared with obtained experimental values. 1H and 13C-NMR chemical shifts were computed for the H2L ligand using the DFT/GIAO method. Additionally, the molecular electronic structures of the complexes have been investigated by DFT calculations.Ali Mahmood AliTagreed Hashim Al-NoorEid AbdalrazaqAbdel Aziz Qasem JbarahDepartment of Chemistry, Universitas Gadjah Madaarticlecurcuminl-tyrosinesilveraluminiumleadschiff baseChemistryQD1-999ENIndonesian Journal of Chemistry, Vol 21, Iss 3, Pp 708-724 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	curcumin l-tyrosine silver aluminium lead schiff base Chemistry QD1-999
spellingShingle	curcumin l-tyrosine silver aluminium lead schiff base Chemistry QD1-999 Ali Mahmood Ali Tagreed Hashim Al-Noor Eid Abdalrazaq Abdel Aziz Qasem Jbarah Synthesis and DFT Study of the Complexation of Schiff Base Derived Curcumin and L-Tyrosine with Al(III), Ag(I), and Pb(II) Metal Ions
description	The multi-dentate Schiff base ligand (H2L), where H2L=2,2'-(((1,3,5,6)-1-(3-((l1-oxidaneyl)-l5-methyl)-4-hydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-diylidene)bis(azaneylylidene))bis(3-(4-hydroxyphenyl)propanoic acid), has been prepared from curcumin and L- Tyrosine amino acid. The synthesized Schiff base ligand (H2L) and the second ligand 1,10-phenanthroline (phen) are used to prepare the new complexes [Al(L)(phen)]Cl, K[Ag(L)(phen)] and [Pb(L)(phen)]. The synthesized compounds are characterized by magnetic susceptibility measurements, micro elemental analysis (C.H.N), mass spectrometry, molar conductance, FT-infrared, UV-visible, atomic absorption (AA), 13C-NMR, and 1H-NMR spectral studies. The characterization of the synthesized complexes shows that the environment surrounding the central metal ion in the complexes adopted a distorted octahedral configuration. Moreover, the conductivity measurements show a non-electrolytic character for the [Pb(L)(phen)] complex and an electrolytic character for the [Al(L)(phen)]Cl and K[Ag(L)(phen)] complexes. The experimental infrared data are supported by density functional theory (DFT) calculations using the B3LYP level of theory and LANL2DZ basis set. The vibrational frequencies of the molecules are computed using the optimized geometry obtained from the DFT calculations. The calculated vibrational frequencies have been compared with obtained experimental values. 1H and 13C-NMR chemical shifts were computed for the H2L ligand using the DFT/GIAO method. Additionally, the molecular electronic structures of the complexes have been investigated by DFT calculations.
format	article
author	Ali Mahmood Ali Tagreed Hashim Al-Noor Eid Abdalrazaq Abdel Aziz Qasem Jbarah
author_facet	Ali Mahmood Ali Tagreed Hashim Al-Noor Eid Abdalrazaq Abdel Aziz Qasem Jbarah
author_sort	Ali Mahmood Ali
title	Synthesis and DFT Study of the Complexation of Schiff Base Derived Curcumin and L-Tyrosine with Al(III), Ag(I), and Pb(II) Metal Ions
title_short	Synthesis and DFT Study of the Complexation of Schiff Base Derived Curcumin and L-Tyrosine with Al(III), Ag(I), and Pb(II) Metal Ions
title_full	Synthesis and DFT Study of the Complexation of Schiff Base Derived Curcumin and L-Tyrosine with Al(III), Ag(I), and Pb(II) Metal Ions
title_fullStr	Synthesis and DFT Study of the Complexation of Schiff Base Derived Curcumin and L-Tyrosine with Al(III), Ag(I), and Pb(II) Metal Ions
title_full_unstemmed	Synthesis and DFT Study of the Complexation of Schiff Base Derived Curcumin and L-Tyrosine with Al(III), Ag(I), and Pb(II) Metal Ions
title_sort	synthesis and dft study of the complexation of schiff base derived curcumin and l-tyrosine with al(iii), ag(i), and pb(ii) metal ions
publisher	Department of Chemistry, Universitas Gadjah Mada
publishDate	2021
url	https://doaj.org/article/4d315dcd6f66435687f8c52b9c18f65a
work_keys_str_mv	AT alimahmoodali synthesisanddftstudyofthecomplexationofschiffbasederivedcurcuminandltyrosinewithaliiiagiandpbiimetalions AT tagreedhashimalnoor synthesisanddftstudyofthecomplexationofschiffbasederivedcurcuminandltyrosinewithaliiiagiandpbiimetalions AT eidabdalrazaq synthesisanddftstudyofthecomplexationofschiffbasederivedcurcuminandltyrosinewithaliiiagiandpbiimetalions AT abdelazizqasemjbarah synthesisanddftstudyofthecomplexationofschiffbasederivedcurcuminandltyrosinewithaliiiagiandpbiimetalions
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Synthesis and DFT Study of the Complexation of Schiff Base Derived Curcumin and L-Tyrosine with Al(III), Ag(I), and Pb(II) Metal Ions

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