Ferrocenylmethylnucleobases Synthesis, DFT Calculations, Electrochemical and Spectroscopic Characterization

Three ferrocenylmethylnucleobases (FcMeNb) were synthesized and characterized by cyclic voltammetry, electronic absorption, FT-IR and NMR spectroscopy. The energy of frontier molecular orbitals was determined using DFT/B3LYP method combined with 6-311++G(d,p) basis set in acetonitrile. The lower standard rate constant values of the FcMeNb compounds as compared to ferrocene indicated slower electron transfer kinetics.