skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Rate constants for hydrogen abstraction reactions of the sulfate radical, SO sub 4 sup minus. Experimental and theoretical results of cyclic ethers

Abstract

Rate constants have been determined as a function of temperature in aqueous solutions for the reactions of the SO{sub 4}{sup {minus}} radical with the C{sub 3} to C{sub 6} cyclic monoethers and the diethers 1,4- and 1,3-dioxane. The reactions clearly are grouped into three sets: the C{sub 4} and C{sub 6} monoethers react the fastest, the C{sub 3} and C{sub 5} monoethers are slower, and the cyclic diethers are the slowest. Theoretical calculations also have been carried out to estimate the C-H bond strengths in these molecules and these results have been related to the experimental rate constants.

Authors:
;  [1];  [2]
  1. National Inst. of Standards and Technology, Gaithersburg, MD (United States)
  2. John Hopkins Univ., Baltimore, MD (United States)
Publication Date:
OSTI Identifier:
7274154
Resource Type:
Journal Article
Journal Name:
Journal of Physical Chemistry; (United States)
Additional Journal Information:
Journal Volume: 95:23; Journal ID: ISSN 0022-3654
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ETHERS; CHEMICAL REACTION KINETICS; DEHYDROGENATION; SULFATES; AQUEOUS SOLUTIONS; BINDING ENERGY; EXPERIMENTAL DATA; MATHEMATICAL MODELS; RADICALS; TEMPERATURE DEPENDENCE; TEMPERATURE RANGE 0273-0400 K; THEORETICAL DATA; CHEMICAL REACTIONS; DATA; DISPERSIONS; ENERGY; INFORMATION; KINETICS; MIXTURES; NUMERICAL DATA; ORGANIC COMPOUNDS; ORGANIC OXYGEN COMPOUNDS; OXYGEN COMPOUNDS; REACTION KINETICS; SOLUTIONS; SULFUR COMPOUNDS; TEMPERATURE RANGE; 400201* - Chemical & Physicochemical Properties

Citation Formats

Huie, R E, Clifton, C L, and Kafafi, S A. Rate constants for hydrogen abstraction reactions of the sulfate radical, SO sub 4 sup minus. Experimental and theoretical results of cyclic ethers. United States: N. p., 1991. Web. doi:10.1021/j100176a055.
Huie, R E, Clifton, C L, & Kafafi, S A. Rate constants for hydrogen abstraction reactions of the sulfate radical, SO sub 4 sup minus. Experimental and theoretical results of cyclic ethers. United States. https://doi.org/10.1021/j100176a055
Huie, R E, Clifton, C L, and Kafafi, S A. 1991. "Rate constants for hydrogen abstraction reactions of the sulfate radical, SO sub 4 sup minus. Experimental and theoretical results of cyclic ethers". United States. https://doi.org/10.1021/j100176a055.
@article{osti_7274154,
title = {Rate constants for hydrogen abstraction reactions of the sulfate radical, SO sub 4 sup minus. Experimental and theoretical results of cyclic ethers},
author = {Huie, R E and Clifton, C L and Kafafi, S A},
abstractNote = {Rate constants have been determined as a function of temperature in aqueous solutions for the reactions of the SO{sub 4}{sup {minus}} radical with the C{sub 3} to C{sub 6} cyclic monoethers and the diethers 1,4- and 1,3-dioxane. The reactions clearly are grouped into three sets: the C{sub 4} and C{sub 6} monoethers react the fastest, the C{sub 3} and C{sub 5} monoethers are slower, and the cyclic diethers are the slowest. Theoretical calculations also have been carried out to estimate the C-H bond strengths in these molecules and these results have been related to the experimental rate constants.},
doi = {10.1021/j100176a055},
url = {https://www.osti.gov/biblio/7274154}, journal = {Journal of Physical Chemistry; (United States)},
issn = {0022-3654},
number = ,
volume = 95:23,
place = {United States},
year = {Thu Nov 14 00:00:00 EST 1991},
month = {Thu Nov 14 00:00:00 EST 1991}
}