شماره ركورد كنفرانس
3834
عنوان مقاله
THEORETICAL AND EXPERIMENTAL CALCULATION OF ACIDITY CONSTANT (PKA) OF DIAZABICYCLO OCTANE (DABCO)
پديدآورندگان
Mostaanzadeh Hossein h.mostaan@qom.ac.ir Department of Chemistry, Faculty of Science, University of Qom, Qom, Iran; , Honarmand Ebrahim 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
diazabicyclo octane (DABCO) , modified electrode , acidity constant , Density functional theory
سال انتشار
1395
عنوان كنفرانس
نوزدهمين سمينار شيمي فيزيك ايران
زبان مدرك
انگليسي
چكيده فارسي
A graphene modified carbon paste electrode (Gr-CPE) was used for determination of diazabicyclo octane, DABCO, at pH=10.5 of phosphate buffer solutions (PBS). The characterization of the bare and modified electrodes was performed by electrochemical impedance spectroscopy (EIS). Density functional theory (DFT) method at B3LYP/6-311++G** level of theory was used to calculate the pKa value of DABCO.
كشور
ايران
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