Enthalpy of Formation of the Cyclohexadienyl Radical and the C−H Bond Enthalpy of 1,4-Cyclohexadiene: An Experimental and Computational Re-Evaluation

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Enthalpy of formation of the cyclohexadienyl radical and the C-H bond enthalpy of 1,4-cyclohexadiene: an experimental and computational re-evaluation.

A quantitative understanding of the thermochemistry of cyclohexadienyl radical and 1,4-cyclohexadiene is beneficial for diverse areas of chemistry. Given the interest in these two species, it is surprising that more detailed thermodynamic data concerning the homolytic C-H bond enthalpies of such entities have not been forthcoming. We thus undertook an experimental and computational evaluation o...

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ژورنال

عنوان ژورنال: The Journal of Physical Chemistry A

سال: 2009

ISSN: 1089-5639,1520-5215

DOI: 10.1021/jp901314y