Theoretical Study of the 3,6-Dimethoxy-1,2 Dioxane Molecule

Science Direct Working Paper No S1574-0331(04)70417-8

12 Pages Posted: 31 May 2017 Last revised: 16 Dec 2017

See all articles by N. Jorge

N. Jorge

Universidad Nacional del Nordeste - Area de Fisicoquimica FACENA

Manuel Gómez-Vara

Universidad Nacional del Nordeste - Area de Fisicoquimica FACENA

Lázaro Cafferata

Universidad Nacional de La Plata - Departamento de Quimica

Eduardo Alberto Castro

Universidad Nacional de La Plata - Departamento de Quimica

Date Written: January 2001

Abstract

We present a theoretical study of the electronic structure and conformational stability of the title compound. We resort to the semiempirical AM1 and PM3 molecular orbital methods and the relative energetic stability of the different isomers is discussed in terms of the several steric and electronic factors determining the equilibrium molecular structure. Results are analized in a comparative fashion with other similar molecules previously studied theoretically and experimentally.

Keywords: Organic Chemistry > Other, orgchem/0101001

Suggested Citation

Jorge, N. and Gómez-Vara, Manuel and Cafferata, Lázaro and Castro, Eduardo Alberto, Theoretical Study of the 3,6-Dimethoxy-1,2 Dioxane Molecule (January 2001). Science Direct Working Paper No S1574-0331(04)70417-8, Available at SSRN: https://ssrn.com/abstract=2969460

N. Jorge

Universidad Nacional del Nordeste - Area de Fisicoquimica FACENA

Avda. Libertad 5600
Corrientes
Argentina

Manuel Gómez-Vara

Universidad Nacional del Nordeste - Area de Fisicoquimica FACENA

Avda. Libertad 5600
Corrientes
Argentina

Lázaro Cafferata

Universidad Nacional de La Plata - Departamento de Quimica

Calle 47 y 115
La Plata, 1900
Argentina

Eduardo Alberto Castro (Contact Author)

Universidad Nacional de La Plata - Departamento de Quimica ( email )

Calle 47 y 115
La Plata, 1900
Argentina

Here is the Coronavirus
related research on SSRN

Paper statistics

Downloads
2
Abstract Views
87
PlumX Metrics