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

Science Direct Working Paper No S1574-0331(04)70113-7

7 Pages Posted: 24 May 2017 Last revised: 2 Dec 2017

See all articles by N.L. Jorge

N.L. Jorge

affiliation not provided to SSRN

Nelly Jorge

Universidad Nacional del Nordeste - Area de Fisicoquimica FACENA

C.A. Leiva

Universidad Nacional del Nordeste - Area de Fisicoquimica FACENA

M.G. Castellanos

Universidad Nacional del Nordeste - Area de Fisicoquimica FACENA

M.E. Gómez-Vara

Universidad Nacional del Nordeste - Area de Fisicoquimica FACENA

Lázaro Cafferata

Universidad Nacional de La Plata - Departamento de Quimica

Date Written: November 2001

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 made through the employment of a macrocalorimeter to measure the combustion heat and the sublimation enthalpy was determined via the measurement of the vapour pressure at equilibrium with the vapour phase at different temperatures resorting to the Clapeyron-Claussius equation. Theoretical calculations were performed using semiempirical AM1 and PM3 methods as well as techniques at the 321, 6-31G(d,p) and 6-311G(d,p) basis set levels.

Keywords: Physical Chemistry > Computational Chemistry, physchem/0111002

Suggested Citation

Jorge, N.L. and Jorge, Nelly and Leiva, C.A. and Castellanos, M.G. and Gómez-Vara, M.E. and Cafferata, Lázaro, Experimental and Theoretical Study of the Enthalpy of Formation of 3,6-Diphenyl-1,2,4,5-Tetroxane Molecule (November 2001). Science Direct Working Paper No S1574-0331(04)70113-7, Available at SSRN: https://ssrn.com/abstract=2966505

N.L. Jorge (Contact Author)

affiliation not provided to SSRN

No Address Available

Nelly Jorge

Universidad Nacional del Nordeste - Area de Fisicoquimica FACENA ( email )

Avda. Libertad 5600
Corrientes
Argentina

C.A. Leiva

Universidad Nacional del Nordeste - Area de Fisicoquimica FACENA

Avda. Libertad 5600
Corrientes
Argentina

M.G. Castellanos

Universidad Nacional del Nordeste - Area de Fisicoquimica FACENA

Avda. Libertad 5600
Corrientes
Argentina

M.E. Gómez-Vara

Universidad Nacional del Nordeste - Area de Fisicoquimica FACENA

Avda. Libertad 5600
Corrientes
Argentina

Lázaro Cafferata (Contact Author)

Universidad Nacional de La Plata - Departamento de Quimica

Calle 47 y 115
La Plata, 1900
Argentina

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