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
| Autor: | Abdel Aziz Jbarah, Ali Mahmood Ali, Eid Abdalrazaq, Tagreed Hashim Al-Noor |
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| Rok vydání: | 2021 |
| Předmět: |
lead
Schiff base 010405 organic chemistry Ligand Chemistry aluminium curcumin L-tyrosine silver Chemical shift Metal ions in aqueous solution l-tyrosine General Chemistry schiff base 010402 general chemistry 01 natural sciences 0104 chemical sciences chemistry.chemical_compound Crystallography Propanoic acid Octahedron Molecule Density functional theory QD1-999 |
| Zdroj: | Indonesian Journal of Chemistry; Vol 21, No 3 (2021); 708-724 Indonesian Journal of Chemistry, Vol 21, Iss 3, Pp 708-724 (2021) |
| ISSN: | 2460-1578 1411-9420 |
| DOI: | 10.22146/ijc.62188 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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