摘要
The electronic structures of the species Ni(DMG)_2, (Ni(DMG)_2)^- and (Ni(DMG)_2)_(2-) have been studied by INDO quantum chemical method. The results have clearly shown that in the first stage of the electroreduction of Ni(DMG)_2, one electron interacts with the d orbitals on the nickel atom, while in the further stage the second electron interacts with the p orbitals on the nitrogen atoms. It conforms with our electrochemical experimental studies which showed that not only Ni(Ⅱ) is reduced but also DMG is catalytically reduced during the reduction of Ni(DMG)_2.
The electronic structures of the species Ni（DMG）<sub>2</sub>, （Ni（DMG）<sub>2</sub>）<sup>-</sup> and （Ni（DMG）<sub>2</sub>）<sub>2-</sub> have been studied by INDO quantum chemical method. The results have clearly shown that in the first stage of the electroreduction of Ni（DMG）<sub>2</sub>, one electron interacts with the d orbitals on the nickel atom, while in the further stage the second electron interacts with the p orbitals on the nitrogen atoms. It conforms with our electrochemical experimental studies which showed that not only Ni（Ⅱ） is reduced but also DMG is catalytically reduced during the reduction of Ni（DMG）<sub>2</sub>.
基金
Project supported by the National Natural Science Foundstion of China.
