Mononuclear Cr(III), Mn (II), and Fe(III) complexes derived from new ONO symmetrical flexible hydrazone: synthesis, spectral characterization, optical band gap and DFT computational study

Abstract

New mononuclear Mn (II), Cr (III) and Fe (III) complexes of flexible symmetrical 2-(2-(2-hydroxy-3-methoxybenzylidene) hydrazinyl)-2-oxo-N-(pyridine-2-yl) acetamid (H 4 MPA) were isolated and characterized. IR spectra proved that the hydrazone coordinates as ONO dibasic or monobasic in keto and enol forms. The density functional theory (DFT) based quantum chemical calculations were accomplished at B3LYP/6-level of theory. Muilikan atomic charge in a companion with global and local reactivities and various energitic values have been calculated at the selected atoms, and the reactive sites have been assigned on the surface of the molecules through molecular electrostatic potential (MEP) map. The stability of all compounds was examined by TGA and DrTGA and the associated kinetic parameters were determined. Also, the optical band gap values were evaluated and found to be comparable with those obtained by DFT suggesting the possibility of using the title compounds in solar cells.

Dioxomolybdenum (VI) Compounds of Macrocyclic Schiff base Ligands: Preparation, Characterization and Antibacterial Activity

“…There have been various research papers published that explore metal compounds from physicochemical and biochemical perspectives and drive extensive applications [6][7][8][9][10][11] . A transitional Schiff base formulation with vitamin B6 catalyzes transamination reactions using metal ions 15,16 . In addition to their antifungal and antiviral properties, Schiff base compounds are also anti-inflammatory and antitumor [12][13][14][15][16][17][18][19][20] .…”

“…A transitional Schiff base formulation with vitamin B6 catalyzes transamination reactions using metal ions 15,16 . In addition to their antifungal and antiviral properties, Schiff base compounds are also anti-inflammatory and antitumor [12][13][14][15][16][17][18][19][20] .…”