Xd. Chai et al., EFFECT OF ELECTRON PUSHING AND DRAWING SU BSTITUENTS ON PROPERTIES AND ELECTRONIC-STRUCTURES OF FERROCENE DERIVATIVES, Gaodeng xuexiao huaxue xuebao, 17(12), 1996, pp. 1899-1903
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.