Table of Contents Author Guidelines Submit a Manuscript
TheScientificWorldJOURNAL
Volume 2, Pages 455-460
http://dx.doi.org/10.1100/tsw.2002.126
Short Communication

Experimental and Theoretical Study of the Enthalpy of Formation of 3,6-Diphenyl-1,2,4,5-Tetroxane Molecule

1Area de Fisicoquímica, FACENA, Universidad Nacional del Nordeste, Avda. Libertad 5300, 3400 Corrientes, Argentina
2LADECOR, Departamento de Química, Facultad de Ciencias Exactas, Universidad, Nacional de La Plata, Calles 47 y 115, La Plata 1900, Argentina
3CEQUINOR, Departamento de Química, Facultad de Ciencias Exactas, Universidad, Nacional de La Plata, Calles 47 y 115, C.C. 962, La Plata 1900, Argentina

Received 15 November 2001; Revised 7 January 2002; Accepted 9 January 2002

Copyright © 2002 N.L. Jorge et al.

Abstract

We report the results obtained for the experimental determination and the theoretical calculation of the enthalpy of formation of 3,6-diphenyl-1,2,4,5-tetroxane molecule. The experimental work was performed using a macrocalorimeter to measure the combustion heat, and the sublimation enthalpy was determined via the measurement of the vapor pressure at equilibrium with the vapor phase at different temperatures resorting to the Clapeyron-Claussius equation. Theoretical calculations were performed using semiempirical AM1 and PM3 methods as well as ab initio techniques at the 3-21, 6-31G(d,p), and 6-311G(d,p) basis set levels.