高等学校化学学报 ›› 1991, Vol. 12 ›› Issue (10): 1398.
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汪苞, 宁友明, 赵尚勃
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国家自然科学基金
Wang Bao, Ning You-ming, Zhao Sang-bo
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摘要: CaF2晶体掺入Mn2+后,Mn2+取代了Ca2+,受到8个邻近的F-所产生的八配位立方Oh对称晶场作用,Mckeever等计锋了Mn2+的吸收谱,其基态立方零场分裂参量α已有实验观测值。
关键词: 立方零场分裂, 完全能量矩阵, Ok群表象
Abstract: A group of complete, strong-field-energy matrices for the perturbed Hamiltonian H' of the d5 ion system are constructed by using the Oh group representation strong field scheme. From this, we have successfully obtained a unified theoretical explanation of the spectrum and the cubic zero-field splitting of the ground state of Mn2+ions in eight-ligand system (CaF2) and six-ligand system (KZnF3. RbCdF3) for the first time. The calculated values are in good agreement with the observed result.
Key words: Cubic zero-field splitting, Complete energy matrices, Okgroup representation
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汪苞, 宁友明, 赵尚勃. 六配位与八配位Oh对称晶场中Mn2+光谱及基态立方零场分裂研究. 高等学校化学学报, 1991, 12(10): 1398.
Wang Bao, Ning You-ming, Zhao Sang-bo . A Study of the Spectrum and the Cubic Zero-field Splitting of Mn2+ Ions in Six and Eight Ligand OhSymmetric Crystal Field. Chem. J. Chinese Universities, 1991, 12(10): 1398.
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