Synthesis, crystal structure, computational studies, and antioxidant properties of dimethylformamide-bound magnesium tetraphenylporphyrin

The synthesis, characterization and crystal structure of a dimethylformamide (DMF) coordinated magnesium tetraphenylporphyrin, [Mg(TPP)(DMF)]center dot CH2Cl2 (1), is described. Theoretical studies including optimization of the geometry, simulation of the electronic spectrum and binding energy calculations were performed for the complexes using the DFT method to understand the axial coordination in magnesium porphyrins. To get insight into intermolecular interactions Hirshfeld surface analyses and plotting of the 2D fingerprint was performed. Antioxidant activity was measured for the complex which showed enhanced antioxidant activity in the presence of DMF.