Theoretical Electrochemical Study and Free Energies and Free Activation of Electrontransfer of Acetyl Choline (Ach) With Fullerenes in (n= ۶۰, ۷۰, ۷۶, ۸۲ and ۸۶)

In this study, the number of carbon atoms in fullerenes was used as discriptors to establish a good relationship between the structure of Acetyl Choline and Fullerenes Cn (n= ۶۰, ۷۰, ۷۶, ۸۲ and ۸۶). The first to forth free activation energies of electron transfer and kinetic rate constant of the electrontransfer, ΔGet(n) and ket(n), n=۱-۴, respectively were calculated in this study for Acetyl Choline with Fulleren Cn complexes with used calculated of four free energies of electrontransfer Δ Gein (Δ Ge() to Δ Get(۴)), of this supramolecular complexes. This calculation is agreeing with the Marcus theory.

Keywords:

Acetylcholine , Fullerene , Marcus theory