کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1235085 | 968842 | 2007 | 9 صفحه PDF | دانلود رایگان |
![عکس صفحه اول مقاله: Theoretical study on the electrochemical behavior of norepinephrine at Nafion multi-walled carbon nanotubes modified pyrolytic graphite electrode Theoretical study on the electrochemical behavior of norepinephrine at Nafion multi-walled carbon nanotubes modified pyrolytic graphite electrode](/preview/png/1235085.png)
DFT-B3LYP/6-31G (d, p) and HF/6-31G (d, p) calculations are performed for deoxidized norepinephrineat (NP(R)) and its oxidized form (NP(O)). The electrochemistry of norepinephrineat (NP) was studied by cyclic voltammetry (CV) at a pyrolytic graphite electrode modified by Nafion multi-walled carbon nanotubes (MWNTs) in phosphate buffers at pH 6.0, showing that the standard electrode potential of half reaction for NP(O), H+/NP(R) is 0.75l V. This experimental standard electrode potential of half reaction is consistent with that calculated using the energies of solvation and sum of electronic and thermal free energies of NP(R) and NP(O). The frontier orbital theory and Mülliken charges of moleculer explain the electrochemical behavior of CV at modified electrode well. The singlet vertical excited states for NP(R) and NP(O) are also discussed.
Journal: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy - Volume 67, Issue 5, August 2007, Pages 1169–1177