Capture of the Sulfur Monoxide-Hydroxyl Radical Complex

Changyun Chen; Bo Lu; Xiaofang Zhao; Weiyu Qian; Jie Liu; Tarek Trabelsi; Joseph S Francisco; Jie Qin; Jun Li; Lina Wang; Xiaoqing Zeng

doi:10.1021/jacs.9b12152

Capture of the Sulfur Monoxide-Hydroxyl Radical Complex

J Am Chem Soc. 2020 Feb 5;142(5):2175-2179. doi: 10.1021/jacs.9b12152. Epub 2020 Jan 23.

Authors

Changyun Chen¹, Bo Lu¹, Xiaofang Zhao¹, Weiyu Qian¹, Jie Liu¹, Tarek Trabelsi², Joseph S Francisco², Jie Qin³, Jun Li³, Lina Wang⁴, Xiaoqing Zeng^{1

4}

Affiliations

¹ College of Chemistry, Chemical Engineering and Materials Science , Soochow University , 215123 Suzhou , China.
² Department of Earth and Environment Science , University of Pennsylvania , Philadelphia , Pennsylvania 19104-6243 , United States.
³ School of Chemistry and Chemical Engineering and Chongqing Key Laboratory of Theoretical and Computational Chemistry , Chongqing University , 401331 Chongqing , China.
⁴ Department of Chemistry , Fudan University , 200433 Shanghai , China.

PMID: 31939294
DOI: 10.1021/jacs.9b12152

Abstract

The elusive hydrogen-bonded sulfur monoxide-hydroxyl radical complex (•OH···OS), a missing intermediate in the atmospheric chemistry of SO₂, was generated in the 266 nm laser photolysis of the sulfinyl radical HOSO• in cryogenic Ar-matrixes. In addition to the IR spectroscopic characterization with deuteration, its thermal conversion to HOSO• with an activation barrier of 0.33 ± 0.11 kcal mol^-1 (calcd 0.32 kcal mol^-1, CCSD(T)-F12a/AVTZ) in the temperature range of 15.0-21.0 K and a H/D kinetic isotope effect of 2.4 at 16.0 K have been observed.

Publication types

Research Support, Non-U.S. Gov't