LAUSR

Herein, we describe the synthesis of two novel Schiff base ligands, 2-[(3-bromo-5-hydroxybenzylidene)-amino]-6-methylpyrimidin-4-ol (1) and 3-bromo-5-[(5-methylthiazol-2-ylimino)methyl]phenol (2), and their Co(II) and Mn(II) complexes (4–6). The molecular structures of the obtained compounds were confirmed using physical and analytical characterization techniques. The global stability properties of the ligands and their coordination complexes have been assessed by analyzing their frontier molecular orbitals, while their reactivity properties have been assessed by calculating average local ionization energies (ALIE). In addition, TDDFT calculations have been performed in order to theoretically obtain the UV–Vis spectra of the title compounds.