Evidence of distorted fivefold coordination of the Cu2+ aqua ion from an x-ray-absorption spectroscopy quantitative analysis -: art. no. 174205
Evidence of distorted fivefold coordination of the Cu2+ aqua ion from an x-ray-absorption spectroscopy quantitative analysis -: art. no. 174205
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DOI：
10.1103/physrevb.65.174205
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发表时间：
2002-05-01
影响因子：
3.7
通讯作者：
Pavel, NV
中科院分区：
文献类型：
--
作者：
Benfatto, M;D'Angelo, P;Pavel, NV
结合X射线吸收近边结构和扩展的X射线吸收精细结构定量分析，低能量和高能量范围的拟合程序的基础上，已进行了在Cu K边缘。这允许与第一水合壳的Cu 2+水络合物的结构参数的准确测定。已经证明了平均五重配位的存在，排除了最近提出的具有五个相等Cu-O距离的规则金字塔构型。我们的结构结果进行了比较，最近的中子衍射数据进行的第二个差异同位素替代方法。
A combined x-ray-absorption near-edge structure and extended x-ray-absorption fine-structure quantitative analysis, based on fitting procedures of both low- and high-energy ranges, has been carried out at the Cu K edge. This allowed an accurate determination of the structural parameters associated with the first hydration shell of the Cu2+ aqua complex. The existence of an average fivefold coordination has been evidenced, ruling out the recently proposed regular pyramidal configuration with five equal Cu-O distances. Our structural results are compared with recent neutron-diffraction data performed by the second-difference isotopic substitution method.