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

页码：435 / 441

页数：7

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