A Theoretical Study on the Kinetics of the C2H3+Cl2 Reaction

Chlorine and chlorinated compounds are one of the major environmental pollutants that canreact easily with other chemicals including radicals. In this study the reaction of Chlorinewith vinyl radical (one of the other pollutants in the atmosphere), is studied [1]. Vinyl radicalplays a significant role in the formation of polycyclic aromatic hydrocarbons in acetylenerichenvironments [2]. Based on our ab initio calculations, RRKM theory was used to predictthe rate constants for different channels of this multistep reaction of chlorine with vinylradical.