Temperature and Pressure Dependence of the Reaction S + CS (+M) → CS2 (+M)

Peter Glarborg; Paul Marshall; Jürgen Troe

doi:10.1021/jp5121492

Temperature and Pressure Dependence of the Reaction S + CS (+M) → CS2 (+M)

J Phys Chem A. 2015 Jul 16;119(28):7277-81. doi: 10.1021/jp5121492. Epub 2015 Feb 11.

Authors

Peter Glarborg¹, Paul Marshall², Jürgen Troe^{3

4}

Affiliations

¹ †Department of Chemical and Biochemical Engineering, Technical University of Denmark, DK-2800 Kongens Lyngby, Denmark.
² ‡Department of Chemistry and Center for Advanced Scientific Computing and Modeling (CASCaM), University of North Texas, 1155 Union Circle 305070, Denton, Texas 76203-5017, United States.
³ §Institut für Physikalische Chemie, Universität Göttingen, Tammannstrasse 6, D-37077 Göttingen, Germany.
⁴ ∥Max-Planck-Institut für Biophysikalische Chemie, Am Fassberg 11, D-37077 Göttingen, Germany.

PMID: 25669352
DOI: 10.1021/jp5121492

Abstract

Experimental data for the unimolecular decomposition of CS2 from the literature are analyzed by unimolecular rate theory with the goal of obtaining rate constants for the reverse reaction S + CS (+M) → CS2 (+M) over wide temperature and pressure ranges. The results constitute an important input for the kinetic modeling of CS2 oxidation. CS2 dissociation proceeds as a spin-forbidden process whose detailed properties are still not well understood. The role of the singlet-triplet transition involved is discussed.

Publication types

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

MeSH terms

Carbon Disulfide / chemistry*
Kinetics
Models, Chemical
Pressure*
Sulfur / chemistry*
Temperature*

Substances

Sulfur
Carbon Disulfide