title: 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.
authors: Dipartimento di Scienze e Tecnologie Chimiche, Università di Roma "Tor Vergata", Via Ricerca Scientifica snc, 00133 Roma, Italy.
authors: Simone
authors: S
authors: Bertini
authors: Dipartimento di Chimica, Materiali e Ingegneria Chimica G. Natta, Politecnico di Milano, via L. Mancinelli 7, 20131 Milano, Italy.
authors: Alessia
authors: A
authors: Coletti
authors: Dipartimento di Scienze e Tecnologie Chimiche, Università di Roma "Tor Vergata", Via Ricerca Scientifica snc, 00133 Roma, Italy.
authors: Barbara
authors: B
authors: Floris
authors: Dipartimento di Scienze e Tecnologie Chimiche, Università di Roma "Tor Vergata", Via Ricerca Scientifica snc, 00133 Roma, Italy. Electronic address: valeria.conte@uniroma2.it.
authors: Valeria
authors: V
authors: Conte
authors: Dipartimento di Scienze e Tecnologie Chimiche, Università di Roma "Tor Vergata", Via Ricerca Scientifica snc, 00133 Roma, Italy. Electronic address: galloni@scienze.uniroma2.it.
authors: Pierluca
authors: P
authors: Galloni
mesh_terms: D056831:Coordination Complexes / Q000737:chemistry*; D004583:Electrons; D012459:Salicylates / Q000737:chemistry*; D014639:Vanadium / Q000737:chemistry*
chemical_list: D056831:Coordination Complexes; D012459:Salicylates; D014639:Vanadium; C090416:salophen
keywords: Electronic density; Substituent effects; Vanadium complexes