用MOPAC ET程序中AM1方法 ,计算了金属螺环化合物分子内电子转移的性质及它们与外加电场的相关性 ,结果表明随着外加电场F的不断增加 ,反应的势垒则不断降低 ,当F达到一定值时 ,反应的活化能为零 ,此时反应速率最大 ,计算还表明电子转移矩阵元VAB和重组能λ受外加电场的影响很小 ,而反应热则与之成正比 . Using the MOPAC ET program AM1 method, we calculated the intramolecular electron transfer properties of the metal spiro compounds and their dependence on the applied electric field. The results show that with the increase of the applied electric field F, the barrier of the reaction decreases continuously. When F When the reaction reaches a certain value, the activation energy of the reaction is zero, and the reaction rate is the maximum at this time. The calculation also shows that the electron transfer matrix element VAB and the recombination energy λ are little affected by the applied electric field, and the reaction heat is proportional to it.