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dc.contributor.authorNam, GJ
dc.contributor.authorXia, WS
dc.contributor.author夏文生
dc.contributor.authorPark, J
dc.contributor.authorLin, MC
dc.date.accessioned2012-06-30T01:36:08Z
dc.date.available2012-06-30T01:36:08Z
dc.date.issued2000-01-21
dc.identifier.citationJ. Phys. Chem. A, 2000, 104 (6):1233–1239zh_CN
dc.identifier.issn1089-5639
dc.identifier.urihttp://dx.doi.org/doi:10.1021/jp993245a
dc.identifier.urihttps://dspace.xmu.edu.cn/handle/2288/13049
dc.description.abstractThe kinetics of the C6H5 reaction with CO has been studied by the cavity ring-down spectrometric technique in the temperature range 295-500 K at 12-120 Torr pressure with Ar as the carrier gas. The reaction occurred near the high-pressure limit under the conditions used. A weighted least-squares analysis of all data gives the rate constant for the association reaction, k(1) = 10(11.93+/-0.14) exp[-(1507 +/- 109)/T] cm(3) mole(-1) s(-1), where the errors represent two standard deviations. Our result can correlated satisfactorily with the kinetic data reported by Solly and Benson for the reverse process (J. Am. Chem. Sec. 1971, 93, 2171) with the Rice-Ramsperger-Kassel-Marcus (RRKM) theory using the transition-state parameters computed quantum mechanically by the MP2 method with the 6-31G(d,p) basis set. Combination of the forward and reverse reaction data gives Delta H-1(0) = -24.6 +/- 0.8 kcal/mol at 0 K and k(1)(infinity) = 5.3 x 10(14) exp(-14600/T) s(-1) for the temperature range 300-670 K, The heat of reaction, combining with the known heats of formation of the reactants, leads to Delta(f)H(0)(o) (C6H5CO)= 32.5 +/- 1.5 kcal/mol.zh_CN
dc.language.isoenzh_CN
dc.publisherAMER CHEMICAL SOCzh_CN
dc.titleThe reaction of C6H5 with CO: Kinetic measurement and theoretical correlation with the reverse processzh_CN
dc.typeArticlezh_CN


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