Nature of the metal-ligand bond in some [(CO)4M ← BIIM(R)] {M = Cr, Mo, W; R = H, F, Cl, Br} complexes: A theoretical study

A theoretical study on the structure and nature of M ← N bonds in some potential pharmacologically active [(CO)4M ← BIIM(R)] {M = Cr, Mo, W; R = H, F, Cl, Br} complexes have been investigated with the BP86 and MP2 methods using the def2-TZVPP basis set.78