量子电子学报, 2007, 24 (2): 0142, 网络出版: 2010-06-07
Ni2CdCl6·12H2O中Ni2+离子的光谱及其局域结构研究
Optical spectra and local structure of Ni2+ ions in Ni2CdCl6·12H2O
光谱学 局域结构 叠加模型 完全对角化 spectroscopy local structure superposition model complete diagonalization procedure Ni2CdCl6·12H2O Ni2CdCl6·12H2O
摘要
采用晶场参量的叠加模型，建立了结构参数与光谱之间的定量关系；利用完全对角化方法，由光谱确定Ni2CdCl6·12H2O晶体中[Ni(H2O)6]2+络离子在温度为14K时的局域结构参数，较好地解释了Ni2CdCl6·12H2O晶体中Ni2+离子的局域结构和光学吸收谱；研究结果发现，Ni2CdCl6·12H2O晶体中络离子[Ni(H2O)6]2+的键长为R≈0．2009nm，键角为θ≈55．1°；所得光谱的理论结果与实验发现很好符合。
Abstract
The relationship between the optical spectra and the crystal structure parameters is set up,and the local structure parameters of group [Ni(H2O)6]2+ of Ni2CdCl6·12H2O crystal can be determined from the optical spectra at 14 K. The local structure and absorption spectra of Ni2+ ions of Ni2CdCl6·12H2O crystal are interpreted based on superposition model and the complete diagonalization procedure method. According to the calculation,the local structure values of [Ni(H2O)6]2+ are: bond length R ≈ 0.2009 nm and bond angle θ ≈ 55.1°. Theoretical results of optical spectra are in good agreement with experimental findings.
冯文林, 谌家军. Ni2CdCl6·12H2O中Ni2+离子的光谱及其局域结构研究[J]. 量子电子学报, 2007, 24(2): 0142. FENG Wen-lin, CHEN Jia-jun. Optical spectra and local structure of Ni2+ ions in Ni2CdCl6·12H2O[J]. Chinese Journal of Quantum Electronics, 2007, 24(2): 0142.
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