A combined experimental and theoretical study on an ionic cobalt(III/II) complex with a Schiff base ligand

An ionic cobalt(III/II) complex, [Co-III(L)(2)][Co-II(NCS)(3)(H2O)], where H2L = 2-((3-aminopropylimino) methyl)-6-methoxyphenol, has been synthesized and characterized by several analytical techniques, including single crystal X-ray diffraction analysis. The energetic features of the solid state non-covalent interactions involved in the titled ionic coordination complex have been studied by means of DFT computations, which indicate that a combination of strong CH3 center dot center dot center dot pi and H-bonding interactions is the main reason behind the stabilization of this complex. (C) 2020 Elsevier Ltd. All rights reserved.