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High energy resolution x-ray absorption spectroscopy study of uranium in varying valence states

机译:不同价态的铀的高能分辨率X射线吸收光谱研究

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摘要

A high energy resolution x-ray absorption near-edge structure (XANES) spectroscopy study on U~(4+) (UO_2), U~(5+) ([UO_2Py_5][KI_2Py_2]), and U~(6+) [UO_2(NO_3)_2(H_2O)_6] demonstrates the potential of this experimental technique for qualitative/semiqualitative and quantitative actinide speciation investigations. We observe a pre-edge feature with quadrupole nature in a U L_3 edge partial fluorescence yield-XANES spectrum. This feature is a tool for characterizing the participation of 5f orbitals in U-O bonding. The feature origin is explained by performing calculations with the finite difference method near-edge structure code based on the multiplescattering theory and the finite difference method.
机译:U〜(4+)(UO_2),U〜(5+)([UO_2Py_5] [KI_2Py_2])和U〜(6+)的高能量分辨率X射线吸收近边缘结构(XANES)光谱研究[UO_2(NO_3)_2(H_2O)_6]证明了该实验技术在定性/半定性和定量act系物种形成研究中的潜力。我们在U L_3边缘部分荧光产量XANES光谱中观察到具有四极性质的前边缘特征。此功能是用于表征5f轨道参与U-O键合的工具。通过使用基于多重散射理论和有限差分法的有限差分法近边缘结构代码进行计算来解释特征起源。

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  • 来源
    《Physical review》 |2010年第23期|p.196-201|共6页
  • 作者单位

    Institute for Nuclear Waste Disposal (INE), Karlsruhe Institute of Technology, P.O. Box 3640, D-76021 Karlsruhe, Germany;

    European Synchrotron Radiation Facility (ESRF), 6 Rue Jules Horowitz, BP 220, 38043 Grenoble Cedex 9, France;

    Laboratoire de Reconnaissance Ionique et Chimie de Coordination, SCIB (UMR-E 3 CEA-UJF), INAC, CEA-Grenoble,17 rue des Martyrs, 38054 Grenoble Cedex 09, France;

    Faculty of Physics, Southern Federal University, Rostov-on-Don 344090, Russia;

    Institute for Nuclear Waste Disposal (INE), Karlsruhe Institute of Technology, P.O. Box 3640, D-76021 Karlsruhe, Germany;

    Department of Physics, Uppsala University, P.O. Box 530, SE-751 21 Uppsala, Sweden;

    Laboratoire de Reconnaissance Ionique et Chimie de Coordination, SCIB (UMR-E 3 CEA-UJF), INAC, CEA-Grenoble,17 rue des Martyrs, 38054 Grenoble Cedex 09, France;

    Institute for Transuranium Elements (ITU), Joint Research Centre, European Commission, P.O. Box 2340, D-76125 Karlsruhe, Germany;

    Faculty of Physics, Southern Federal University, Rostov-on-Don 344090, Russia;

    Faculty of Geosciences, Utrecht University, P.O. Box 80021, NL-3508 Utrecht, The Netherlands;

    Institute for Nuclear Waste Disposal (INE), Karlsruhe Institute of Technology, P.O. Box 3640, D-76021 Karlsruhe, Germany;

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  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

    X-ray absorption spectra; electron density of states and band structure of crystalline solids; X-ray emission spectra and fluorescence;

    机译:X射线吸收光谱;晶体的电子态密度和能带结构;X射线发射光谱和荧光;

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