A review of the limited literature concerned with theoretical ways to predict experimentally measured redox potentials of ligands and complexes is presented. Electrochemical and related DFT studies involving series of para-substituted nitrobenzenes and -diketone bidentate ligands are discussed. New studies involving ferrocenes and bimetallic complexes (containing both rhodium and iron) are addi...

The redox potentials of 4,4’-dimethyl-N’N’-alkylidene bridged 2,2’-bipyridinium salts derivatives (DBPAs) can be controlled by changing the N, N’-alkylidene bridge length which changes the conformation of the DBPAs.. In this paper, the torsional angles between the two pyridine rings and the molecular energy of DBPAs are calculated using a PC based software package (AccuModel 1.2). The relations...

The oxidation of polycyclic aromatic compounds was studied in systems consisting of laccase from Trametes versicolor and so-called mediator compounds. The enzymatic oxidation of acenaphthene, acenaphthylene, anthracene, and fluorene was mediated by various laccase substrates (phenols and aromatic amines) or compounds produced and secreted by white rot fungi. The best natural mediators, such as ...

the adsorption of 2-mercaptobenzimidazole (2-mbi) on au(111) has been studied withcyclic voltammetry (cv), in-situ subtractively normalised interfacial ft-ir spectroscopy (sniftirs)and scanning tunnelling microscopy (stm). although adsorbed 2-mbi reduces the interfacial capacityand quenches the characteristic features of the cyclic voltammogram for sulfate adsorption,heterogeneous electron tran...

the conditional formal potential, e°′of methyldopa has been studied by cyclic voltammetry at the surface of activated glassy carbon electrode (agce) as the working electrode in different ph phosphate buffered solutions. the experimental standard redox potential, e°′, of methyldopa is obtained to be 0.72 mv versus she (standard hydrogen electrode). e°′ values have also been calculated with the a...