HF acid ionization in water: The first step

被引：21
作者：
Ando, K [1 ]
Hynes, JT [1 ]
机构：
[1] UNIV COLORADO, DEPT CHEM & BIOCHEM, BOULDER, CO 80309 USA
来源：
FARADAY DISCUSSIONS | 1995年 / 102卷
关键词：
D O I：
10.1039/fd9950200435
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
The results of a theoretical study of the first acid-ionization step to produce a contact-ion pair are presented for HF in water. The reaction is found to be an adiabatic quantum proton transfer, and has an activation barrier in a collective solvent reaction coordinate of ca. 3 kcal mol(-1).
引用
收藏
页码：435 / 441
页数：7
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