Hydrogen Atom Position in Hydrated Iodide Anion from X-ray Absorption Near Edge Structure

Hajime Tanida; Ken-ichi Kato; Iwao Watanabe

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Hydrogen Atom Position in Hydrated Iodide Anion from X-ray Absorption Near Edge Structure

机译：X射线吸收的近边缘结构在水合碘化物阴离子中的氢原子位置

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Hydrogen atom position in the hydrated iodide anion complex is determined from X-ray Absorption Near Edge Structure (XANES)of an aqueous iodide solution at both the K-and -edges.The spectra are compared with the theoretical ones calculated by using the FEFF method for several model geometries having hdyrogen atoms at different positions.Satisfactory agreements are obtained from models withan almost linear alignment of iodine-hydroge-oxygen atoms,indicating the capability of the XANES analysis when it is combined with the multiple scattering calcualtions as a methdo to detect the positions of hydrogen atoms in the first coordiantion sphere.

机译：根据碘化物水溶液在K和K端的X射线吸收近边缘结构（XANES）确定水合碘化物阴离子络合物中的氢原子位置，并将光谱与使用FEFF方法计算的理论光谱进行比较对于几个在不同位置具有高氢原子原子的模型几何体，从碘-氢-氧原子几乎线性排列的模型中获得了令人满意的协议，表明将XANES分析与多种散射计算结合作为方法来检测时的XANES分析能力第一坐标球中氢原子的位置。

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《Bulletin of the Chemical Society of Japan》 |2003年第9期|共6页
作者
Hajime Tanida; Ken-ichi Kato; Iwao Watanabe;
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1. Hydrogen Atom Position in Hydrated Iodide Anion from X-ray Absorption Near Edge Structure [J] . Hajime Tanida, Ken-ichi Kato, Iwao Watanabe Bulletin of the Chemical Society of Japan . 2003,第9期

机译：X射线吸收的近边缘结构在水合碘化物阴离子中的氢原子位置
2. Dependence of EXAFS (Extended X-Ray Absorption Fine Structure) Parameters of Iodide Anions in Various Solvents upon a Solvent Parameter [J] . Hajime Tanida, Iwao Watanabe Bulletin of the Chemical Society of Japan . 2000,第12期

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Hydrogen Atom Position in Hydrated Iodide Anion from X-ray Absorption Near Edge Structure

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