BARC/PUB/2021/0093

 
 

Rate coefficients of hydroxyl radical reaction with 1-chlorocyclopentene over a temperature range of 262-335 K

 
     
 
Author(s)

Sharma, A.; Walavalkar, M. P.; Virmani, A.; Saha, A.; SenGupta, S.; Awadhesh Kumar; and others
(RPCD)

Source

Chemical Physics Letters, 2021. Vol. 778: Article no. 138816

ABSTRACT

The rate coefficients for reactions of 1-chlorocyclopentene with OH have been measured in the temperature range of 262-335 K, at total pressure of 30 Torr, using Laser Photolysis-Laser Induced Fluorescence. The rate coefficient can be expressed as k(T)=(6.32 ± 1.16) × 10-12   exp((669 ± 45)/T) cm3 molecules-1s-1, and thus it depends weekly on temperature. It decreases with increasing temperature, which was attribute to formation of a pre-reactive complex between reactants. Molecular orbital calculations confirm participation of such a complex during an addition reaction, and also predict several other hydrogen abstraction pathways. The studies suggest the dominance of addition reaction over H atom abstraction in the reaction of 1-chlorocyclopentene with OH.

 
 
SIRD Digital E-Sangrahay