EFFECT OF ELECTRON PUSHING AND DRAWING SU BSTITUENTS ON PROPERTIES AND ELECTRONIC-STRUCTURES OF FERROCENE DERIVATIVES

Three ferrocene derivatives were synthesized and their results of cycl ic voltammetry, electronic absorption spectra and spectroelectrochemis try were analyzed in terms of frontier molecular orbital interactions. Their molecular orbital energy levels were given on the basis of the analysis. Experimental results show that P II has two reversible redox couples, the corresponding values of E(1)(ox) and E(2)(ox) are 0.33 a nd 0.59 V, respectively. In the first oxidation state, P II (+)(D-Fc()-R) shows a strong LMCT (ligand-to-metal-charge-transfer) band at 613 nm. This suggests that it may serve as a redox switching of optical p roperties. P III shows strong LMCT and pi-->pi CT bands at 356 and 32 0 nm, respectively, which should result in high second order nonlinear optical response.