采用晶体场理论和3d9电子组态在平面四角晶场中的g因子和超精细结构常数A的三阶微扰计算公式以及CdCl2:Cu2+晶体的局域结构与EPR谱之间的定量关系,合理解释了CdCl2:Cu2+晶体的EPR谱及局域晶体结构,所得EPR参量与实验观测相符合.研究发现芯极化常数约为0.2827.平面四角键长的变化约为0.013 nm.因此,CdCl2晶体中掺杂Cu2+后,由于静态Jahn-Teller效应引起的晶格驰豫,导致晶格在平面四角内发生了略微伸长的畸变.
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