Electron distribution in water
Electron distribution in water
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DOI：
10.1063/1.481541
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发表时间：
2000-06-01
影响因子：
4.4
通讯作者：
Soper, AK
中科院分区：
文献类型：
--
作者：
Badyal, YS;Saboungi, ML;Soper, AK
在环境条件下用同步辐射测量的水的X射线结构因子与那些预测的基础上的部分结构因子描述通过中子衍射获得的核位置和不同的假设的电子分布进行了比较。比较表明，约0.5 e的电荷从每个氢原子转移到同一分子上的氧，这意味着有效的偶极矩为2.9 D，与理论估计值吻合得很好。(C)2000年美国物理学会。[S0021- 9606（00）02421-1]
The x-ray structure factor of water measured under ambient conditions with synchrotron radiation is compared with those predicted on the basis of partial structure factors describing the nuclear positions obtained by neutron diffraction and of different assumptions for the electron distribution. The comparison indicates that a charge of approximately 0.5 e is transferred from each hydrogen atom to the oxygen on the same molecule, implying an effective dipole moment of 2.9 D, in good agreement with theoretical estimates. (C) 2000 American Institute of Physics. [S0021- 9606(00)02421-1]