can be identified the functional groups that presence in the molecule including determined the bonding mode of the complexes by compare peaks of complexes to peaks of references. So in these complexes, thiocyanate ligand is N-donor ligand because they have the smallest shift value compare to the references [Table 7]. 〖[Fe(py)〗_4 〖(NSC)〗_2],〖[Ni(py)〗_4 〖(NSC)〗_2] and 〖[Co(py)〗_4 〖(NSC)〗_2] are M-NCS bonding mode.