Articulo
Calorimetric and computational study of enthalpy of formation of diperoxide of cyclohexanone
Registro en:
issn:1422-0067
Autor
Romero, Jorge Marcelo
Bustillo, Soledad
Ramírez Maisuls, Hugo Enrique
Jorge, Nelly Lidia
Gómez Vara, Manuel Eduardo
Castro, Eduardo A.
Jubert, Alicia Haydeé
Institución
Resumen
A thermochemical rather simple experimental technique is applied to determine the enthalpy of formation of Diperoxide of ciclohexanone. The study is complemented with suitable theoretical calculations at the semiempirical and ab initio levels. A particular satisfactory 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 pointed out. Facultad de Ciencias Exactas