CdCl2, CdBr2, CdI2晶体中NI2+能级方案的比较晶体场分析

Annals Series on History and Archaeology Academy of Romanian Scientists Pub Date : 2021-01-01 DOI:10.56082/annalsarsciphyschem.2021.1.19

M. Brik, N. Avram, C. Avram

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引用次数: 0

摘要

利用晶体场交换电荷模型计算了三种结构相似的CdCl2、CdBr2和CdI2晶体中Ni2+的所有能级(3d8电子组态)的晶体场分裂。确定了配体性质和离子间距离对晶体场参数值、分裂能级位置和它们之间的相对间隔的影响。将计算的能级与文献中已有的实验结果进行了比较，得到了较好的一致性。

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COMPARATIVE CRYSTAL FIELD ANALYSIS OF THE NI2+ ENERGY LEVEL SCHEME IN CdCl2, CdBr2, CdI2 CRYSTALS

The exchange charge model of crystal field was used to calculate the crystal field splitting of all Ni2+ energy levels (3d8 electron configuration) in three structurally similar crystals of CdCl2, CdBr2, and CdI2. The influence of the nature of the ligands and interionic distances on the values of the crystal field parameters and location of the split energy levels and relative intervals between them was identified. Comparison of the calculated energy levels with the experimental results available in the literature yielded good agreement.

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来源期刊

Annals Series on History and Archaeology Academy of Romanian Scientists

自引率

0.00%

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审稿时长

15 weeks