Synthesis, crystal structures, photoluminescence, magnetic and antioxidant properties, and theoretical analysis of Zn(ii) and Cu(ii) complexes of an aminoalcohol ligand supported by benzoate counter anions. (5th December 2018)

• Record Type: Journal Article
• Authors: I., Mantasha; Shahid, M.; Ahmad, Musheer; Rahisuddin, ; Arif, Rizwan; Tasneem, Sana; Sama, Farasha; Ansari, Istikhar A.
• Is Part Of: New journal of chemistry. Volume 43:Number 2(2019)
• Page Start: 622
• Page End: 633
• Publication Date: 2018-12-05
• Subjects: Chemistry -- Periodicals; Chimie -- Périodiques; 540
• DOI: 10.1039/c8nj04122a
• Languages: English
• ISSNs: 1144-0546

Abstract

Abstract : Two photoluminescent Zn(ii ) and Cu(ii ) complexes are designed, characterized and assessed for DNA binding and antioxidant properties. Abstract : The coordination chemistry of two complexes [Zn(Me-deaH2 )2 ][ba]2 (1 ) and [Cu(Me-deaH2 )]3 [tca]2 (2 ), where Me-deaH2 = N -methyldiethanolamine, Hba = benzoic acid and H3 tca = 1, 2, 4-benzenetricarboxylic acid, has been explored. The Zn(ii ) and Cu(ii ) complexes are well characterized using spectral, single crystal X-ray and magnetic studies. The X-ray structure reveals a distorted octahedral geometry around both the metal ions. While the aminoalcoholate is coordinated with the metal ions, the benzoate moeity is present as a counter anion consolidating the crystal structure. Furthermore, the non-covalent interactions C–H⋯π, C–H⋯O, O–H⋯O and C–H⋯C result in 2D sheet networks in1 and2 . These non-covalent interactions are theoretically predicted by Hirshfeld surface analysis. Solid state photoluminescence (PL) spectra of the complexes confirm their better luminescent behaviour than the corresponding parent conjugated ligands. The temperature variable magnetic data disclose the weak antiferromagnetic behaviour of2 . The plot indicates that the Cu(ii ) complex follows the Curie–Weiss law with a Curie constant, C = 0.29 cm 3 K mol −1 and a Weiss constant, θ = −0.39 K. Moreover, the binding ability of both the complexes with DNA (PDB ID: ;1BNA ) is investigated theoretically and the data reveal the free energy of binding to be −256.22 (1 ) and −357.72 kcal mol −1 (2 ). The higher binding affinity of2 can be rationalized in terms of its greater extent of H-bonding with DNA. Moreover, the assessment of the antioxidant properties employing DPPH free radical scavenging [IC50 = 0.628 ± 0.005 (1 ) and 0.850 ± 0.005 mg mL −1 (2 )] and hydrogen peroxide assay [IC50 = 0.068 ± 0.001 (1 ) and 0.76 ± 0.01 mg mL −1 (2 )] ascertains the Zn(ii ) complex to be a potent antioxidant.