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Frequency: Quarterly
ISSN: 1553-3468 (Print)
ISSN: 1558-6332 (Online)
Research Article Open Access

Conformational Analysis of Trans-3, 6-Dibutanal-1, 2, 4, 5-Tetroxane

Eduardo A. Castro1, Mariela I. Profeta1, Jorge M. Romero1, Nelly L. Jorge1 and Manuel E. Gomez Vara1
  • 1 Facultas de Aiencias Exactas Naturales y Agrimensura, Argentina

Abstract

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.

American Journal of Biochemistry and Biotechnology
Volume 1 No. 1, 2005, 32-36

DOI: https://doi.org/10.3844/ajbbsp.2005.32.36

Submitted On: 19 April 2005 Published On: 31 March 2005

How to Cite: Castro, E. A., Profeta, M. I., Romero, J. M., Jorge, N. L. & Gomez Vara, M. E. (2005). Conformational Analysis of Trans-3, 6-Dibutanal-1, 2, 4, 5-Tetroxane. American Journal of Biochemistry and Biotechnology, 1(1), 32-36. https://doi.org/10.3844/ajbbsp.2005.32.36

Open AccessCopyright: © 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.

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Keywords

  • Conformational analysis
  • trans-3
  • 6-dibutanal-1,2,4,5,-tetroxane
  • molecular orbital
  • theroy
  • semiempirical method-AMI
  • PM3 calcuation techniques