Conformational Analysis of Trans-3, 6-Dibutanal-1, 2, 4, 5-Tetroxane
Eduardo A. Castro, Mariela I. Profeta, Jorge M. Romero, Nelly L. Jorge and Manuel E. Gomez Vara
DOI : 10.3844/ajbbsp.2005.32.36
American Journal of Biochemistry and Biotechnology
Volume 1, Issue 1
We report the results of theoretical semiempirical AM1 and PM3 molecular orbital methods on the conformational analysis of the title compound. The relative stability of different isomers and conformers are discussed on the basis of well defined electronic and steric effects, which are rather helpful in order to understand the relative stabilities.
© 2005 Eduardo A. Castro, Mariela I. Profeta, Jorge M. Romero, Nelly L. Jorge and Manuel E. Gomez Vara. This is an open access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.