Detailed rate coefficients and the enthalpy change of the equilibrium reaction OH+C 6 H 6M HOC 6 H 6 over the temperature range 345-385 K

Shih Chieh Lin*, Tsu Chi Kuo, Yuan-Pern Lee

*Corresponding author for this work

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Abstract

The reaction between OH and C 6 H 6 in He has been studied over the pressure range 250-500 Torr and the temperature range 345-385 K by means of the laser-photolysis/laser-induced-fluorescence technique. Analysis of the temporal profile of [OH] yielded the detailed rate coefficients and the equilibrium constant for the reaction OH+C 6 H 6 +M↔ HOC 6 H 6 +M. The temperature dependence of the rate coefficients for the forward, the reverse, and the adduct-loss reactions have been determined to be k f =(2.0±0.1)×10 -14 exp[(1420±250)/T] cm 3 molecule -1 s -1 , k r =(3.0±0.2)×10 12 exp[-(8240±320)/T] s -1 , and k a =(1.7±0.3)×10 6 exp[- (3500±360)/T] s -1 , respectively. The temperature dependence of the equilibrium constant led to the enthalpy of reaction ΔH(365±20 K)=-(20.0±1.2) kcal mol -1 and the entropy of reaction ΔS(365±20 K)=-(33.6±2.5) cal K -1 mol -1 , greater than previously reported values; after correction for temperature dependence, ΔH 0 (298 K)=-(19.9±1.2) kcal mol -1 and ΔS 0 (298 K)=-(33.4±2.6) cal K -1 mol -1 .

Original languageEnglish
Pages (from-to)2098-2105
Number of pages8
JournalThe Journal of chemical physics
Volume101
Issue number3
DOIs
StatePublished - 1 Aug 1994

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