The Intramolecular Structure of Oxonium Ion in Concentrated Aqueous Deuterochloric Acid Solutions.
The Intramolecular Structure of Oxonium Ion in Concentrated Aqueous Deuterochloric Acid Solutions.
复制标题
浓氘氯酸水溶液中氧鎓离子的分子内结构。
DOI：
10.1246/bcsj.65.2021
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发表时间：
1992
影响因子：
4
通讯作者：
O. Uemura
中科院分区：
文献类型：
--
作者：
Y. Kameda;O. Uemura
对纯液体D2O和浓水双氯酸溶液（DCl）x(D2O)1−x （x = 0.10, 0.23）进行了TOP中子衍射实验。在较小的散射角（2θ=44°）下，TOF测量明显减小了溶液中分子结构的非弹性效应带来的误差。由理论分子内干涉函数与观测函数的最小二乘拟合得到d30 +和D2O分子的核间距离、rOD和rDD以及均方根位移、lOD和lDD分别为：d30 +的rOD = 1.04(4) A, rDD = 1.63(5) A, lOD = 0.07(2) A, lDD = 0.12(6) A， D2O的rOD = 0.983(5) A, rDD = 1.55(4) A, lOD = 0.067(8) A, lDD = 0.12(4) A。d30 +中的键角∠DOD也计算为103°。通过研究，得到了氧离子在液相中的三角锥体结构。
Time-of-flight (TOP) neutron diffraction experiments have been carried out for pure liquid D2O and concentrated aqueous deuterochloric acid solutions (DCl)x(D2O)1−x (x = 0.10, 0.23). The errors due to the inelasticity effect on the molecular structure in the solution were markedly reduced by the TOF measurement at the small scattering angle (2θ=44°). From the least square fit of the theoretical intramolecular interference function to the observed one, the internuclear distances, rOD and rDD, and the root mean square displacements, lOD and lDD, in both D3O+ and D2O molecules were determined as follows; rOD = 1.04(4) A, rDD = 1.63(5) A, lOD = 0.07(2) A and lDD = 0.12(6) A for D3O+, and rOD = 0.983(5) A, rDD = 1.55(4) A, lOD = 0.067(8) A, and lDD = 0.12(4) A for D2O. The bond angle ∠DOD in D3O+ was also calculated to be 103°. The trigonal pyramidal structure of oxonium ion in the liquid phase has been lead through this investigation.