Liquid carbon tetrachloride: Atom pair correlation functions from neutron and x‐ray diffraction
Liquid carbon tetrachloride: Atom pair correlation functions from neutron and x‐ray diffraction
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液态四氯化碳：中子和 X 射线衍射的原子对相关函数
DOI：
10.1063/1.433111
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发表时间：
1976
影响因子：
4.4
通讯作者：
A. Narten
中科院分区：
文献类型：
--
作者：
A. Narten
提供并分析20 °C下液态CCl 4的中子和X射线衍射数据，以得出不同分子中C-Cl和Cl-Cl原子对的结构和相关函数。在液体中，一个中心分子与四个最近的邻居互锁，这种排列解释了在短径向距离上存在的强取向相关性。这些数据足够精确，可以为液态的分子理论和计算机实验中的分子间力模型提供灵敏的检验。
Neutron and x‐ray diffraction data for liquid CCl4 at 20 °C are presented and analyzed to yield structure and correlation functions for C–Cl and Cl–Cl atom pairs in different molecules. In the liquid, a central molecule is interlocked with four of its nearest neighbors and this arrangement explains the strong orientational correlations that exist over short radial distances. The data are sufficiently accurate to provide a sensitive test for molecular theories of the liquid state and for intermolecular force models in computer experiments.