Hydration Structure of SCN- in Concentrated Aqueous Sodium Thiocyanate Solutions.
Hydration Structure of SCN- in Concentrated Aqueous Sodium Thiocyanate Solutions.
复制标题
浓硫氰酸钠水溶液中 SCN- 的水合结构。
DOI：
10.1246/bcsj.67.956
复制
发表时间：
1994
影响因子：
4
通讯作者：
O. Uemura
中科院分区：
文献类型：
--
作者：
Y. Kameda;Ryuji Takahashi;T. Usuki;O. Uemura
对 D2O 中的 10 mol% NaSC14N 和 NaSC15N 溶液进行飞行时间 (TOF) 中子衍射测量，以研究硫氰酸根离子 SCN− 周围的水合结构。有 1.8 ± 0.2 个水分子与 SCN− 配位，分子间距离为 r(N···D) = 2.16 ± 0.02 A，表明 SCN− 与最近邻的水分子之间形成氢键。中子衍射和X射线衍射结果配对表明，SCN−分子轴与氢键∠C–N…H2O之间的夹角约为1°。 10 和 20 mol% NaSCN 水溶液中 120°。此外，根据观察到的模型函数和结构模型函数之间的最小二乘拟合结果，提出了有关这些浓缩溶液中 Na+ 周围局部结构的细节。
Time-of-flight (TOF) neutron-diffraction measurements for 10 mol% NaSC14N and NaSC15N solutions in D2O were carried out in order to investigate the hydration structure around the thiocyanate ion, SCN−. There are 1.8 ± 0.2 water molecules coordinated to SCN− with an intermolecular distance of r(N···D) = 2.16 ± 0.02 A, suggesting that the hydrogen bond is formed between SCN− and the nearest-neighbor water molecules. It has also been indicated by pairing the neutron-diffraction and X-ray diffraction results that the angle between the molecular axis of SCN− and the hydrogen bond, ∠C–N··· H2O, is ca. 120° in 10 and 20 mol% NaSCN aqueous solutions. Furthermore, details concerning the local structure around Na+ in these concentrated solutions have been proposed based on the results of a least-squares fitting between the observed and structural model functions.