Kinetic study of the thermal isomerization of fulvene
作者： BJ Gaynor , RG Gilbert , KD King , PJ Harman
DOI: 10.1071/CH9810449
关键词: Isomerization 、 Fulvene 、 Quantum chemistry 、 Physical chemistry 、 Concerted reaction 、 Arrhenius equation 、 Atmospheric temperature range 、 Reaction mechanism 、 Ab initio quantum chemistry methods 、 Chemistry
摘要: The thermal unimolecular isomerization of fulvene to benzene was studied by the technique very low-pressure pyrolysis. observed fall-off regime rate coefficients (obtained over temperature range c. 1050-1150 K) were fitted using RRKM (Rice-Ramsperger-Kassel-Marcus) theory (assuming a concerted reaction mechanism) give high-pressure Arrhenius parameters in E∞ = 268-285 kJ mol-1, log(A/s-1) 13-14.
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