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

共 38 条

[1] Allen M.P., 1987, COMPUTER SIMULATION
[2] HCL ACID IONIZATION IN WATER - A THEORETICAL MOLECULAR MODELING
ANDO, K
HYNES, JT
[J]. JOURNAL OF MOLECULAR LIQUIDS, 1995, 64 (1-2) : 25 - 37
[3] DIELECTRIC-RELAXATION DYNAMICS OF WATER AND METHANOL SOLUTIONS ASSOCIATED WITH THE IONIZATION OF N,N-DIMETHYLANILINE - THEORETICAL ANALYSES
ANDO, K
KATO, S
[J]. JOURNAL OF CHEMICAL PHYSICS, 1991, 95 (08) : 5966 - 5982
[4] Ando K., UNPUB
[5] ANDO K, 1994, STRUCTURE REACTIVITY
[6] [Anonymous], 1990, ADV PHYS ORG CHEM, DOI DOI 10.1016/S0065-3160(08)60047-7
[7] Bell R. P., 1973, PROTON CHEM
[8] Bell R.P., 1980, TUNNEL EFFECT CHEM, DOI DOI 10.1007/978-1-4899-2891-7
[9] BELL RP, 1975, PROTON TRANSFER REAC
[10] BELL RP, 1976, ISOTOPE EFFECTS ORGA, V2

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