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

Authors :
Mohini P. Walavalkar
Anmol Virmani
Prakash D. Naik
Asmita Sharma
Ankur Saha
Awadhesh Kumar
Sumana SenGupta
Source :
Chemical Physics Letters. 778:138816
Publication Year :
2021
Publisher :
Elsevier BV, 2021.

Abstract

The rate coefficients for reactions of 1-chlorocyclopentene with OH have been measured in the temperature range of 262ā€“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) cm3molecules-1sāˆ’1, and thus it depends weakly on temperature. It decreases with increasing temperature, which was attributed 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.

Details

ISSN :
00092614
Volume :
778
Database :
OpenAIRE
Journal :
Chemical Physics Letters
Accession number :
edsair.doi...........bc51812bbaac53ff52e2054dd76b9506
Full Text :
https://doi.org/10.1016/j.cplett.2021.138816