Anharmonic interatomic potentials of octahedral Pt-halogen complexes studied by extended x-ray-absorption fine structure.
Anharmonic interatomic potentials of octahedral Pt-halogen complexes studied by extended x-ray-absorption fine structure.
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通过扩展 X 射线吸收精细结构研究八面体 Pt-卤素配合物的非和谐原子间势。
DOI：
10.1103/physrevb.54.6921
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发表时间：
1996
期刊：
影响因子：
--
通讯作者：
Ugawa
中科院分区：
文献类型：
--
作者：
Yokoyama;Yonamoto;Ohta;Ugawa
八面体配位的 Pt X 6 2−(X= Cl、Br 和 I) 配合物的 Pt L III 和 I K 边扩展 X 射线吸收精细结构光谱的温度依赖性不仅针对第一最近邻 (NN) 壳层，而且还针对更高的 NN 壳层进行了实验研究。八面体系统中径向分布函数的二阶和三阶累积量已通过使用包括三阶力常数的原子间势进行量子力学评估。实验获得的二阶累积量与振动数据的预期值一致，三阶累积量成功给出了非简谐力常数。详细讨论了弯曲运动对较高 NN 壳的累积量的贡献。© 1996 美国物理学会。
The temperature dependence of Pt L III-and I K-edge extended x-ray-absorption fine-structure spectra of octahedrally coordinated Pt X 6 2−(X= Cl, Br, and I) complexes has experimentally been investigated not only for the first-nearest-neighbor (NN) shells but for higher NN ones. The second-and third-order cumulants of a radial distribution function in the octahedral system have been evaluated quantum mechanically by employing the interatomic potential including the third-order force constants. The experimentally obtained second-order cumulants agree with the values expected by the vibrational data and the third-order cumulants have successfully given the anharmonic force constants. Contribution of the bending motions to the cumulants of higher NN shells is discussed in detail.© 1996 The American Physical Society.