THE GROTTHUSS MECHANISM
THE GROTTHUSS MECHANISM
复制标题
DOI：
10.1016/0009-2614(95)00905-j
复制
发表时间：
1995-10-13
影响因子：
2.8
通讯作者：
AGMON, N
中科院分区：
文献类型：
--
作者：
AGMON, N
提出的质子迁移率机制与实验结果和量子力学计算相矛盾，表明没有一个模型与现有数据一致。结果表明，H9O4+和H5O2+之间存在一系列周期性的异构化反应，第一种异构化反应是由第二层水分子的氢键断裂引起的，第二种异构化反应是由相反的氢键形成过程引起的。
Suggested mechanisms for proton mobility are confronted with experimental findings and quantum mechanical calculations, indicating that no model is consistent with the existing data. It is suggested that the molecular mechanism behind prototropic mobility involves a periodic series of isomerizations between H9O4+ and H5O2+, the first triggered by hydrogen-bond cleavage of a second-shell water molecule and the second by the reverse, hydrogen-bond formation process.