Synthesis, structure, photophysical properties and biological activity of a cobalt(II) coordination complex with 4,4′-bipyridine and porphyrin chelating ligands

Publication date: Available online 23 March 2019Source: Journal of Saudi Chemical SocietyAuthor(s): Nesrine Amiri, Sahar Nouir, Melek Hajji, Thierry Roisnel, Taha Guerfel, Gérard Simonneaux, Habib NasriAbstractA new bioactive material of cobalt(II) with 5,10,15,20-tetrakis[4 (benzoyloxy)phenyl] porphyrin (TPBP) and bpy ligands ([CoII(TPBP)(bpy)2] 1) has been synthesised and characterized by Single-crystal X-ray diffraction (SCXRD), spectroscopic methods and quantum-chemistry calculations. In the crystalline structures of six coordinated Co(II) [CoII(TPBP)(bpy)2] 1, linear 1D polymeric chains were observed in which all the porphyrin units are aligned parallel to each other. The crystal packing is stabilized by inter-and intramolecular C–H⋯O and C–H⋯N hydrogen bonds, and by weak C–H⋯Cg π interactions. Interestingly, NBO—Second-order perturbation theory analysis, carried out at the UB3LYP/6-31G(d)/SDD DFT level of theory, demonstrated that a two-center bond between the nitrogen atoms and the cobalt ions (Co) was not found, the Co—Npy/bp interactions are coming from an electronic delocalization between the Npy/Nbp filled orbitals to the anti-bonding LP*(4) and LP*(5) metal NBOs. Mass spectroscopy, and elemental analysis were also investigated to confirm the molecular structure. The downfield shift and the peak broadening of the axial ligand resonances observed in the 1HNMR indicated the contiguity to the paramagnetic Co(II) center. Additionally, the photophysica...
Source: Journal of Saudi Chemical Society - Category: Chemistry Source Type: research