Gholam Reza Jaaferian

Theoretical investigation of five-coordinated cobalt(III) oxophlorin complexes with different axial ligands and their interactions with H 2 O, CO and O 2 at various spin states using the B3LYP method

Considering the C 2 symmetry axis of the oxophlorin ring, two distinct isomers can be observed for five-coordinated Co(III)-oxophlorin with imidazole or pyridine as the axial ligand, namely perpendicular and parallel isomers. In the parallel isomer, the axial ligand lies in the plane containing the C 2 axis. The...