Abstract
Enantioselective, potentiometric membrane electrodes based on [5,6]fullerene-C70 and diethyl (1,2-methanofullerene-C70)-71,71-dicarboxylate were proposed for the enantioanalysis of D-histidine in pharmaceutical compounds. Molecular modelling calculations were performed to support the experimental results. Electronic structures, as well as molecular interactions, have been investigated using Hartree–Fock theory, 3-21G(*) basis set. Stability and feasibility of all the generated structures were supported by their respective energy minima and fundamental frequencies. Molecular modelling calculations were in good agreement with the performances (e.g., response characteristics, enantioselectivity, recovery tests) of the proposed electrodes.
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