Electron donors and cyanoimidazole acceptors: Cyclic voltammetry and molecular orbital study

Abstract

Voltammetric measurements on a series of cyanoimidazoles and their metal complexes are reported and compared with those for various donors and acceptors measured under the same conditions. LUMO energies from extended Huckel calculations correlate well with reduction potentials of cyanoimidazoles. Extended Huckel calculations also give insights into the interaction of the metal complexes of tetracyanobiimidazole and the nature of molecular stacking.