Solution Chemistry of Element 105 Part I: Hydrolysis of Group 5 Cations: Nb, Ta, Ha and Pa
Solution Chemistry of Element 105 Part I: Hydrolysis of Group 5 Cations: Nb, Ta, Ha and Pa
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元素 105 的溶液化学第一部分：第 5 族阳离子的水解：Nb、Ta、Ha 和 Pa
DOI：
10.1524/ract.1998.80.2.65
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发表时间：
1998
期刊：
影响因子：
--
通讯作者：
V. Pershina
中科院分区：
文献类型：
--
作者：
V. Pershina
对第五族元素Nb、Ta、Ha及其伪同系物Pa的水合和水解配合物的电子结构进行了相对论分子轨道计算。在此基础上，定义了水解反应自由能变化和水解反应常数的相对值。结果表明，Nb > Ta > Ha > Pa的水解程度依次减小，这与实验结果相一致。在这个过程中的一个决定性因素原来是一个主要的静电金属配体相互作用。
Relativistic molecular orbital calculations of the electronic structure of hydrated and hydrolyzed complexes have been performed for group 5 elements Nb, Ta, Ha and their pseudohomolog, Pa. On their basis, relative values of the free energy changes and constants of hydrolysis reactions were defined. These results show that hydrolysis decreases in the order Nb > Ta > Ha > Pa, which for Nb, Ta and Pa is in agreement with experiment. A decisive factor in the process turned out to be a predominant electrostatic metal-ligand interaction.