Metalloproteins involved in oxidation-reduction process in metabolism are fundamental for the wellbeing of every organism. The use of amino acid-based compounds as ligands for the construction of biomimetic coordination systems, represents a promising alternative for the development of new catalysts. The presence of N- and O-donor functional groups and their relative position, allows them to act as chelating agents. Herein, we study the synthesis, characterization, and properties of a new family of copper, zinc and nickel coordination compounds based on ligands obtained from the aldehyde piperonal and the amino acids L-Alanine (L1) and L-Phenylalanine (L2). The structures of the complexes are confirmed on the basis of single crystal X-ray diffraction studies, spectroscopic and electrochemical characterization. It is found that the structural diversity depends on the metal center and ligand identity and bulkiness (Figure 1). The inter and intra-molecular interactions between the ligands, mainly π-stacking and hydrogen bonds, are determinant for the formation of the complexes, and allow the stabilization of geometrically distorted structures. Hence, Hirshfield surface analysis and topological studies are performed to analyze the supramolecular chemistry. In addition, the use of the Cu(II) complexes as potential candidates of nitrite reductases mimics for electrocatalytic reduction of nitrite to NO are also explored using experimental studies and DFT calculations.

Synthesis and structural characterization of a new family of amino acid-based coordination complexes, and study of their potential application as nitrite reductases biomimetic electrocatalysts

ACS Spring Meeting 2021

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