Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/80536
Type: Artigo de periódico
Title: Infrared spectroscopy and theoretical calculations as tools for the conformational analysis of 2-methoxycyclohexanone
Author: Freitas, MP
Tormena, CF
Rittner, R
Abstract: The conformational equilibrium of 2-methoxycyclohexanone has been analyzed through infrared spectroscopy and theoretical calculations. These calculations indicate that six conformations may be present in the vapor phase, due to the rotation of the methoxy group around the O-C-2 bond, leading to axial (g(+), g(-) and anti) and equatorial (g(+), g(-) and anti) conformers. However, the infrared spectrum in CCl4 solution shows just three carbonyl stretching bands, corresponding to the conformers of lower energies. An additional band is observed for the CH3CN solution, attributed to a fourth conformer stabilized by a dipole-dipole interaction between this conformer, having a high dipole moment, and the very polar solvent. An interpretation of the governing factors of 2-methoxycyclohexanone equilibria is also given. (C) 2002 Elsevier Science B.V. All rights reserved.
Subject: conformational analysis
infrared spectroscopy
theoretical calculations
2-methoxycyclohexanone
Country: Inglaterra
Editor: Pergamon-elsevier Science Ltd
Rights: fechado
Identifier DOI: 10.1016/S1386-1425(02)00316-5
Date Issue: 2003
Appears in Collections:Unicamp - Artigos e Outros Documentos

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