Al-Hawarin, Jibril I. and Abu-Yamin, Abdel-Aziz and Abu-Saleh, Abd Al-Aziz A. and Saraireh, Ibrahim A. M. and Almatarneh, Mansour H. and Hasan, Mahmood and Atrooz, Omar M. and Al-Douri, Y. (2023) Synthesis, Characterization, and DFT Calculations of a New Sulfamethoxazole Schiff Base and Its Metal Complexes. Materials, 16 (14). ISSN 1996-1944, DOI https://doi.org/10.3390/ma16145160.
Full text not available from this repository.Abstract
A new Schiff base, 4-((1E,2E)-3-(furan-2-yl)allylidene)amino)-N-(5-methylisoxazol-3-yl) benzene-sulfonamide (L), was synthesized by thermal condensation of 3-(2-furyl)acrolein and sulfamethoxazole (SMX), and the furan Schiff base (L) was converted to a phenol Schiff base (L') according to the Diels-Alder 4 + 2] cycloaddition reaction and studied experimentally. The structural and spectroscopic properties of the Schiff base were also corroborated by utilizing density functional theory (DFT) calculations. Furthermore, a series of lanthanide and transition metal complexes of the Schiff base were synthesized from the nitrate salts of Gd, Sm, Nd, and Zn (L1, L2, L3, and L4), respectively. Various spectroscopic studies confirmed the chemical structures of the Schiff-base ligand and its complexes. Based on the spectral studies, a nine-coordinated geometry was assigned to the lanthanide complexes and a six-coordinated geometry to the zinc complex. The elemental analysis data confirmed the suggested structure of the metal complexes, and the TGA studies confirmed the presence of one coordinated water molecule in the lanthanide complexes and one crystalline water molecule in the zinc complex; in addition, the conductivity showed the neutral nature of the complexes. Therefore, it is suggested that the ligand acts as a bidentate through coordinates to each metal atom by the isoxazole nitrogen and oxygen atoms of the sulfur dioxide moiety of the SMX based on FTIR studies. The ligand and its complexes were tested for their anti-inflammatory, anti-hemolytic, and antioxidant activities by various colorimetric methods. These complexes were found to exhibit potential effects of the selected biological activities.
| Item Type: | Article |
|---|---|
| Funders: | UNSPECIFIED |
| Uncontrolled Keywords: | Schiff base; characterization; 3-(2-furyl)acrolein; sulfamethoxazole; DFT; lanthanide; zinc complexes; antioxidant; anti-inflammatory; anti-hemolytic |
| Subjects: | Q Science > QC Physics Q Science > QD Chemistry |
| Divisions: | Deputy Vice Chancellor (Research & Innovation) Office > Nanotechnology & Catalysis Research Centre |
| Depositing User: | Ms. Juhaida Abd Rahim |
| Date Deposited: | 30 Jul 2025 03:22 |
| Last Modified: | 30 Jul 2025 03:22 |
| URI: | http://eprints.um.edu.my/id/eprint/50729 |
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