Investigation of VO-salophen complexes electronic structure.

Abstract Vanadyl N , N ′-bis(salicylidene)- o -phenylenediamine (salophen) complexes have been extensively investigated by cyclic voltammetry, UV–visible spectroscopy and theoretical calculations in MeCN, THF (tetrahydrofuran) and DMF ( N , N -dimethylformamide), in order to elucidate the overall factors that influence the electronic density of the metal and therefore the properties of these complexes in various applications. Different substituents were introduced into the salophen skeleton to change the vanadium electron density. Results obtained and here presented showed that the substituents influence the metal electronic character in a way that cannot be easily predicted by considering only the electronic effect. Similarly, the solvent polarity or coordination ability affects the metal complex properties in an unpredictable way. Therefore, experimental and theoretical data here collected are a powerful tool to a priori design salophen ligands to obtain vanadyl complexes having the specific electronic properties suitable for desired applications.