화학공학소재연구정보센터
Chemical Physics Letters, Vol.554, 20-26, 2012
Temperature dependence of the kinetic isotopic effect of the reaction of Cl atoms with C2H5Cl between 298 and 550 K
The kinetics of the gas-phase reactions of chlorine atoms with chloroethane and chloroethane-d(5) was studied experimentally. The relative rate method was applied using Cl + CH3Cl as the reference reaction. The overall rate constants for H-abstraction from C2H5Cl (k(H)), D-abstraction from C2D5Cl (k(D)), the site-specific rate constants for H-abstraction from alpha-carbon (k(H,alpha)) and beta-carbon (k(H,beta)) atoms of C2H5Cl were measured in the temperature range of 298-550 K at a total pressure of 100 Torr. The derived temperature dependencies of the rate constants are given by k(H) = (2.41 +/- 0.21) x 10 (11) x exp(-316 +/- 11/T), k(H,alpha) = (1.36 +/- 0.09) x 10 (11) x exp(-202 +/- 8/T), k(H,beta) = (1.14 +/- 0.11) x 10 (11) x exp(-592 +/- 16/T) and k(D) = (1.58 +/- 0.14) x 10 (11) x exp(-474 +/- 13/T) cm(3) molecule (1) s (1). The values of the kinetic isotope effect, k(H)/k(D) were also estimated. (C) 2012 Elsevier B.V. All rights reserved.