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- 2018
PHZS:Cu2+的EPR谱和局域结构研究
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Abstract:
采用Cu2+离子正交对称电子顺磁共振（EPR）参量的高阶微扰公式计算K2Zn（SO4）2·6H2O：Cu2+的EPR参量g因子（gx，gy，gz）和超精细结构常数（Ax，Ay，Az）。研究结果表明，K2Zn（SO4）2·6H2O中[Cu（H2O）6]2+基团的Cu2+-H2O键长分别为Rx ≈ 0.197 nm，Ry ≈ 0.213 nm，Rz ≈ 0.224 nm；中心金属离子基态波函数混合系数分别为α ≈ 0.978和β ≈ 0.209。所得EPR参量理论值与实验符合很好。
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