Int. J. Mol. Sci. 2007, 8(7), 688-694; doi:10.3390/i8070688
Communication

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

1, 1, 1, 1email, 1, 2,* email and 3
Received: 27 February 2007; in revised form: 18 July 2007 / Accepted: 18 July 2007 / Published: 19 July 2007
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
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.
Keywords: tetroxane; diperoxide; enthalpy of formation; heat.
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MDPI and ACS Style

Romero, J.M.; Bustillo, S.; Maisuls, H.E.R.; Jorge, N.L.; Vara, M.E.G.; Castro, E.A.; Jubert, A.H. Calorimetric and Computational Study of Enthalpy of Formation of Diperoxide of Cyclohexanone. Int. J. Mol. Sci. 2007, 8, 688-694.

AMA Style

Romero JM, Bustillo S, Maisuls HER, Jorge NL, Vara MEG, Castro EA, Jubert AH. Calorimetric and Computational Study of Enthalpy of Formation of Diperoxide of Cyclohexanone. International Journal of Molecular Sciences. 2007; 8(7):688-694.

Chicago/Turabian Style

Romero, Jorge M.; Bustillo, Soledad; Maisuls, Hugo E.R.; Jorge, Nelly L.; Vara, Manuel E.G.; Castro, Eduardo A.; Jubert, Alicia H. 2007. "Calorimetric and Computational Study of Enthalpy of Formation of Diperoxide of Cyclohexanone." Int. J. Mol. Sci. 8, no. 7: 688-694.


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