Computational study of the thermal reaction rate between S+(S-4) and acetylene

The thermal reaction between S+(S-4) and acetylene has been studied in the framework of the statistical theories in order to extract informations conc erning its actual efficiency at different temperatures and bath gas densiti es. The results of the present work are in reasonable agreement with the av ailable experimental data concerning both the efficiency and the generated products. The spin-forbidden paths have been also re-addressed and their ac tual role within the overall process, discussed. (C) 2001 Elsevier Science B.V. All rights reserved.