【摘要】 文章构建了四方八面体(MnO6)8-络离子g因子的完全高阶微扰公式,该公式包含中心离子Mn4+和配体离子O2-的自旋-轨道耦合对g因子的贡献(双SO耦合参数模型),用该公式所得的g因子值与实验值一致。令分子轨道混合系数λt=λe以及归一化系数Nt=Ne,获得g因子的单SO耦合参数模型,该模型计算的(MnO6)8-络离子g因子与实验值偏差较大,说明配体O2-对g因子有不可忽略的贡献。更多还原

【Abstract】 The complete high-order perturbation formulas are established for g factors in the tetragonal octahedral（MnO₆）8-clusters.The formulas involve the contribution of the spin-orbit coupling from both the central ion Mn4+and the ligand ions O2-（a two-SO-parameter model）.The calculated g is in agreement with the observed one.A one-SO-parameter model is obtained when λ_t=λ_e and N_t=N_e.The calculated g deviates from the observed g greatly with the one-SO-parameter model,which shows that the contribution of the ligands O2-can not be neglected.更多还原