Chemistry Letters, Vol.44, No.10, 1443-1445, 2015
Electrochemical Study and Quantum Chemical Calculation of Norbornene-based Quinone in Acetonitrile
Cyclic voltammetry and rotation disk electrode studies of norbornene-based quinone (NB-quinone) were carried out in acetonitrile. The peak-to-peak separation is 73 mV, and diffusion coefficient was obtained to be 3.53 x 10(-5) cm(2)s(-1). Quantum chemical calculations based on density functional theory have been performed on the NB-quinone. The Fukui (+) function of NB-quinone shows clearly that the carbon and oxygen atoms at the C=O bonds most easily obtain electrons, with the value of 0.091 and 0.145, much higher than other atoms in the molecule. The calculated potential of the reaction is 0.677 V, identical with the experimental value.