“…Therefore, conformer B was selected to design the different complexes structures based on the following evidences: (a) the stability of a chelate is related to the number of atoms in the chelate ring, with the five-membered ring chelate being one of the most stable ones, as previously reported [47,48] (note that conformer B would lead to the formation of a five-member ring chelate while the conformer P would form a six-membered ring chelate); (b) FTIR evidences described above (see Section 3.1 FTIR analysis); and (c) stability, natural charges and MEP calculations show that the conformer B is more appropriate for metal coordination.…”