Anharmonic interatomic potentials of diatomic and linear triatomic molecules studied by extended x-ray-absorption fine structure.
Anharmonic interatomic potentials of diatomic and linear triatomic molecules 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双原子和线性三原子分子的非和谐原子间势。
DOI：
10.1103/physrevb.53.6111
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发表时间：
1996
期刊：
影响因子：
--
通讯作者：
Akito Ugawa
中科院分区：
文献类型：
--
作者：
Toshihiko Yokoyama;K. Kobayashi;Toshiaki Ohta;Akito Ugawa
对双原子分子径向分布函数的前四个累积量和线性三原子系统的前三个累积量进行了量子统计推导。这些力矩与化学键的二至四阶力常数直接相关。实验研究了双原子Br2和线性三原子HgBr2、HgCl2、AuBr2−和CuBr2−体系的扩展X射线吸收精细结构谱随温度的变化。由此得到的累积量成功地给出力常数，其结果与振动数据很好地吻合。即使对于HgBr2和HgCl2的分子晶体，气相和固相之间的力常数也存在差异。
The first four cumulants of a radial distribution function of diatomic molecules and the first three cumulants for linear triatomic systems have been derived quantum statistically. These moments are directly related to the second-to fourth-order force constants of the chemical bond. The temperature dependence of extended x-ray-absorption fine structure spectra of diatomic Br 2 and linear triatomic HgBr 2, HgCl 2, AuBr 2−, and CuBr 2− systems has experimentally been investigated not only for the single-scattering paths but for the multiple-scattering paths. The resultantly obtained cumulants have successfully given the force constants, which are found to be in good agreement with the vibrational data. The differences of the force constants between the gas and solid phases are found even for the molecular crystals of HgBr 2 and HgCl 2.© 1996 The American Physical Society.