Preparation, investigation, DFT, pH-metric and cyclic voltammetry of Cr(III), Fe(III), Co(II), Ni(II) and Cu(II) complexes derived from 2-(2-((2Z,3Z)-3-(hydroxyimino) butan-2-ylidene) hydrazineyl)-2-oxo-N-(pyridin-2-yl) acetamide (H3BYPA) and evaluation of their biological activity

Abstract

Binuclear Cu(II), Co(II) and Ni(II) and mononuclear Fe(III) and Cr(III) complexes derived from new ligand, namely 2-(2-((2Z,3Z)-3-(hydroxyimino) butan-2-ylidene) hydrazineyl)-2-oxo-N-(pyridin-2-yl) acetamide (H3BYPA) have been prepared and identified by elemental analysis, magnetic measurements and spectral methods. The separated complexes appointed the general formula, [M2(HBYPA)(H2O)mCln].xH2O where M = Co(II) and Cu(II) and x = 0 and 3, respectively. IR data detected that the ligand behaves as monobasic NO bidentate in [Fe(H2BYPA)2Cl(H2O)].H2O complex. However, as dibasic tetradentate in [Cr(HBYPA)Cl(H2O)], [Co2(HBYPA)Cl2(H2O)2] and [Cu2(HBYPA)Cl2(H2O)2].3H2O complexes. Furthermore, H3BYPA behaves as tribasic pentadentate in the binuclear [Ni2(BYPA)Cl(H2O)4].4H2O complex,. pH-metric titration was accomplished in 50% water-dioxane mixture at 298, 318 and 328 K, respectively and the ligand's dissociation constant as well as the complexes’ stability constants were recorded. Also, the thermodynamic and kinetic parameters for the several thermal degradation phases of the complexes were calculated using the Horowitz–Metzger and Coats–Redfern approaches. The optical band gap values were compared to those produced by DFT and found to be equivalent. Moreover, antitumor and antibacterial activities of the compounds have been tested. Finally, the ligand and complexes docking study was utilized against HEPG-2 and MCF-7 by Schrödinger suite program using XP glide protocol.