Computational study of the thermal reaction rate between S+(4S) and acetylene Original Research Article

The thermal reaction between S+(4S) and acetylene has been studied in the framework of the statistical theories in order to extract informations concerning its actual efficiency at different temperatures and bath gas densities. The results of the present work are in reasonable agreement with the available experimental data concerning both the efficiency and the generated products. The spin-forbidden paths have been also re-addressed and their actual role within the overall process, discussed.