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Hydration Dynamics at Femtosecond Time Scales and Angstrom Length Scales from Inelastic X-Ray Scattering

机译:飞秒时间尺度和埃长度尺度上非弹性X射线散射的水化动力学

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摘要

We use high resolution dynamical structure factor S(q, ω) data measured with inelastic x-ray scattering to reconstruct the Green's function of water, which describes its density response to a point charge, and provides a fundamental comparative model for solvation behavior at molecular time scales and length scales. Good agreement is found with simulations, scattering and spectroscopic experiments. These results suggest that a moving point charge will modify its hydration structure, evolving from a spherical closed shell to a steady-state cylindrical hydration "sleeve".
机译:我们使用通过非弹性X射线散射测量的高分辨率动力学结构因子S(q,ω)数据来重建水的格林函数,该函数描述了其对点电荷的密度响应,并为分子在溶剂化行为方面提供了基本的比较模型时间刻度和长度刻度。在模拟,散射和光谱实验中发现了很好的一致性。这些结果表明,移动点电荷将改变其水合结构,从球形封闭壳演变为稳态圆柱水合“套管”。

著录项

  • 来源
    《Physical review letters》 |2009年第23期|237402.1-237402.4|共4页
  • 作者单位

    Department of Physics, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA Department of Bioengineering, CNSI,UCLA, Los Angeles, CA 90095;

    Department of Physics, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA Department of Bioengineering, CNSI,UCLA, Los Angeles, CA 90095;

    Department of Physics, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA Department of Bioengineering, CNSI,UCLA, Los Angeles, CA 90095;

    Department of Chemical and Biological Engineering, Rensselaer Polytechnic Institute, Troy, New York 12180, USA;

    European Synchrotron Radiation Facility, Grenoble Cedex, France;

    Department of Chemical and Biological Engineering, Rensselaer Polytechnic Institute, Troy, New York 12180, USA;

    Department of Physics, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA;

    Department of Physics, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA Department of Materials Science and Engineering, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA Department of Bioengineering, CNSI,UCLA, Los Angeles, CA 90095;

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

    X-ray scattering; scattering of atoms and molecules; structure of liquids; hydrogen bonding, hydrophilic effects;

    机译:X射线散射;原子和分子的散射;液体的结构;氢键;亲水作用;

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