Efficient Cu2+-selective-quinoxalone derivatives Host: Experiment and Theory

Metal complexes were well known to play an important role on the various biological process. Eight quinoxalone derivatives was designed and synthesized according to the interaction mechanism between metal cation and HIV UN inhibitors. Their special divalent cation binding properties is further studied by means of UV-vis spectra. The result shows that all eight quinoxalone derivatives have an outstanding selectivity to Cu
²⁺
in ethanol solution. Ab initio calculation of the molecular orbital parameters of eight quinoxalone derivatives and their complexes was performed to explain the selectivity to Cu
²⁺
and position effect on the wavelength shift of UV-vis spectra. The computational results are in good accordance with the experimental results.