Abstract:The electrochemical behavior of p-benzenediol, phenol, 1,2-diol benzene, 1,3-diol benzene and 2-aminophenol at glassy carbon electrode was studied. The charge distribution,bond length,bond angle, H_m,S_m, the total energy of molecule and the energies of Frontier Molecular Orbitals were calculated with quantum chemical theory.The results showed that the calculated electrochemical behavior agreed well with the experimental data.
收稿日期: 2004-04-25
引用本文:
张建明 宋远志. 5种酚的电化学行为及其反应活性的理论计算[J]. , 2004, 43(4): 0-0.
张建明 宋远志. Electrochemical behavior of five phenol and theoretical calculation on reaction activity. , 2004, 43(4): 0-0.