پديدآورندگان :
Honarmand Ebrahim e.honarmand@qom.ac.ir Department of Chemistry, Faculty of Science, University of Qom, Qom, Iran; , Mostaanzadeh Hossein Department of Chemistry, Faculty of Science, University of Qom, Qom, Iran , Abbasi Afshin Department of Chemistry, Faculty of Science, University of Qom, Qom, Iran , Kiamehr Mostafa Department of Chemistry, Faculty of Science, University of Qom, Qom, Iran
كليدواژه :
triethylenediamine (TEDA) , Cyclic voltammetry , Density functional theory , redox reaction
چكيده فارسي :
A multiwalled carbon nanotube-modified carbon paste electrode (MWCNT-PE) was used for determination of triethylenediamine (TEDA). Cyclic voltammetry (CV) was used to investigate the redox potenthial of TEDA at the surface of modified electrode. Density functional theory (DFT) method at B3LYP/6-311++G** level of theory and a conductor-like Polarizable Continuum Model (CPCM) was used to calculate the Eo values. The results of theoretical calculated were found to be in good agreement with the experimental value of formal redox potential.
