• DFT studies of the redox behavior of oligo(aza)pyridines and experimental CVs of 4′-substituted terpyridines 

      Mateyise, Nandisiwe Ghandi Sibongile; Conradie, Marrigje M.; Conradie, Jeanet (Journal article; Tidsskriftartikkel; Peer reviewed, 2022-11-17)
      The cyclic voltammograms of a series of substituted terpyridine ligands are presented, showing that reduction occur generally below −2 V versus the redox potential of ferrocene. Density functional theory (DFT) calculated energies and the theoretically calculated reduction potentials of a large series of substituted oligo(aza)pyridine ligands (terpyridine, bipyridine and phenanthroline) are determined ...