A spectroscopic, electrochemical and DFT study of para-substituted ferrocene-containing chalcone derivatives: Structure of FcCOCHCH(p-tBuC6H4)

► A variety of ferrocenyl-containing chalcone derivatives were synthesized. ► Electrochemical reversibility was obtained for all Fc/Fc+ couples. ► Hammett correlations were made with various physically measured parameters. ► DFT calculated HOMO energies and ionization potentials were determined.