N. Jorge, M. E. Gómez-Vara
 Área de Fisicoquímica, FACENA, UNNE, Av. Libertad 5300, 3400 Corrientes, Argentina

L. F. R. Cafferata
 Programa LADECOR, Departamento de Química, Facultad de Ciencias Exactas, UNLP, Calles 47 y 115, 1900 La Plata, Argentina

E. A. Castro*
CEQUINOR, Departamento de Química, Facultad de Ciencias Exactas, UNLP, C.C. 962, 1900 La Plata, Argentina
 

ABSTRACT

We report the calculation of a theoretical study of the trans-3,6-dimethoxy-1,2,4-trioxane molecule through the employment of the AM1  and PM3 semiempirical methods in order to determine the  geometrical structure of the trans a-a and e-e and cis a-e and e-a isomers. The relative energetic stabilities are discussed on the basis of several purely electronic and stereoelectronic effects. Predictions derived from both methods are quite similar.