The reaction mechanism of the Oppenauer Oxidation is investigated by self-consistent Charge-discrete variation X α calculations. The results show that the Oppenauer Oxidation occurs by hydride ion transfer from the metal alkoxide to the carbonyl compound via a six-membered cyclic transition state. 应用电荷自洽离散变分α近似计算方法,对Oppenauer氧化反应机理进行量子化学研究.计算结果表明:Oppenauer氧化反应发生环内氢负离子转移。第六部分:结语。