شماره ركورد كنفرانس
3834
عنوان مقاله
Electrochemical analysis supported with DFT calculation on the redox reaction of triethylenediamine (TEDA)
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
تعداد صفحه
3
كليدواژه
triethylenediamine (TEDA) , Cyclic voltammetry , Density functional theory , redox reaction
سال انتشار
1395
عنوان كنفرانس
نوزدهمين سمينار شيمي فيزيك ايران
زبان مدرك
انگليسي
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.
كشور
ايران
لينک به اين مدرک