The adsorption of monomers (metal complexes with Schiff bases) and the structure and properties of polymeric films formed on the surface of graphite

Assembly of [Ni(Schiff)] Films on an Inert Surface: A Multiscale Computational Study

“…The complexes of transition metals with SalEn-type Schiff bases (SalEn = N , N ′-bis­(salicylidene)­ethylenediamine), [Me­(Schiff)], are of considerable interest as precursors for the formation of polymeric complexes. As compared to other electroactive materials, these complexes possess a variety of advantages such as a high thermal stability, reversible electrooxidation within a wide range of potentials, and high electron conductivity resulting in a high charge transfer rate. − Due to the unique electrochemical properties and the ease of chemical structure modification, such compounds are a promising class of materials for producing supercapacitors, batteries, and electrochemical sensors, as well as for the modification of electrode surfaces. − Despite an intensive investigation of the properties of such materials, there is still no consensus about the mechanism of electropolymerization of [Me­(Schiff)] complexes. ,,− The structure of the adsorptive surface layer largely determines the mechanism of consequent polymerization and the properties of the polymer obtained thereby. − Therefore, a molecular-level insight into the mechanism of aggregation of the complexes [Me­(Schiff)] can significantly improve the understanding of the polymer film assembly and provide clues both for the targeted optimization of the molecular structure of the complexes and for the improvement of the polymerization procedure.…”