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Calorimetric and Computational Study of Enthalpy of Formation of Diperoxide of Cyclohexanone

DOI: 10.3390/i8070688

Keywords: tetroxane, diperoxide, enthalpy of formation, heat.

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Abstract:

A thermochemical rather simple experimental technique is applied to determinethe enthalpy of formation of Diperoxide of ciclohexanone. The study is complemented withsuitable theoretical calculations at the semiempirical and ab initio levels. A particularsatisfactory agreement between both ways is found for the ab initio calculation at the 6-311G basis This set level. Some possible extensions of the present procedure are pointedout.

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