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Mn~(++)离子的基态是~6S,可以视为拥有5个未成对自旋的d电子,基态电子组态为(t_(2g))~3(e_g)~2。对于Mn~(++)粉红色六水络离子[Mn(H_2O)_6]~(++),它的立体构型可近似视为O_h正八面体对称结构.六个水分子的O~-端指向Mn~(++)中心金属离子.在配位场理论结构中,易于得出它由基态向四重态跃迁的吸收谱。为使计算结果与实验数据一致,可适当选择决定能级的三个参量10D_g、F_2及F_4.Bullhausen选取F_2=1200cm~(-1),F_4=106cm~(-1),10D。
The ground state of Mn ~ (+ +) ions is ~ 6S, which can be regarded as d electrons with 5 unpaired spins. The ground state electron states are (t_ (2g)) ~ 3 (e_g) ~ 2. For Mn ~ (++) pink hexahydrate [Mn (H_2O) _6] ~ (++), its configuration can be approximated as O_h octahedron symmetry structure. The O ~ Points to the Mn ~ (++) central metal ion, and in the theoretical structure of the coordination field it is easy to deduce its absorption spectrum from the ground state to the quartet transition. In order to make the calculated results consistent with the experimental data, three parameters 10D_g, F_2 and F_4 can be chosen to determine the energy level. Bullhausen selected F_2 = 1200cm -1, F_4 = 106cm -1, 10D.