Status : Verified
| Personal Name | Albiso, Shellaida Sesaldo |
|---|---|
| Resource Title | Effect of Co(II) and Cu(II) Coordination on the Ferric-Reducing Antioxidant Capacity and Calculated Electronic Properties of the Schiff Base Ligand N,N’-Bis(Salicylidene)-3,5-Diaminobenzoic Acid Through Experimental Characterization and Density Functional Theory (DFT) Analysis |
| Date Issued | 4 August 2026 |
| Abstract | Schiff base metal complexes have attracted considerable interest as potential redox-active compounds because metal coordination can modify ligand electronic properties, including charge distribution, polarity, and electron-transfer behavior. This study investigated the effect of Co(II) and Cu(II) coordination on the ferric-reducing antioxidant capacity and calculated electronic properties of the Schiff base ligand N,N’-bis (salicylidene) -3,5-diaminobenzoic acid through an integrated experimental and theoretical approach. The Schiff base ligand was synthesized from salicylaldehyde and 3,5-diaminobenzoic acid, followed by complexation with Co(II) and Cu(II) ions. FTIR and UV-Vis spectroscopic characterization provided evidence consistent with ligand formation and supported the proposed coordination of the metal ions through the azomethine nitrogen and phenolic oxygen donor atoms. The ferric-reducing antioxidant capacity of the ligand and its Co (II) and Cu (II) complexes was evaluated using the ferric-reducing antioxidant power (FRAP) assay and compared with that of ascorbic acid. Although the Cu (II) complex exhibited limited dissolution under the selected assay conditions, thereby constraining assessment of its ferric-reducing antioxidant capacity, the Co (II) complex demonstrated greater ferric-reducing antioxidant capacity, highlighting the influence of metal coordination and solubility on the observed FRAP response. The Schiff base ligand and its corresponding Co (II) complex both exhibited concentration-dependent reducing activity, with the Co (II) complex outperforming the ligand in measured potency. Notably, at elevated concentration levels, the ferric-reducing antioxidant capacity for both the ligand and the Co (II) complex exceeded the values recorded for the ascorbic acid standard. To complement the experimental results, gas-phase single-point energy density functional theory (SPE-DFT) calculations were performed at the B3LYP/def2-TZVP[def2/J] level to e |
| Degree Course | Master of Science in Chemical Engineering |
| Language | English |
| Keyword | Ferric-Reducing Antioxidant Capacity; Ferric-Reducing Antioxidant Power; Schiff Base; Metal Complex; Density Functional Theory |
| Material Type | Thesis/Dissertation |
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Access Permission : Limited Access