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Type: Artigo de periódico
Title: Theoretical and infrared studies on the conformational isomerism of trans-2-bromo-alkoxycyclohexanes
Author: Silla, JM
Duarte, CJ
Freitas, MP
Ramalho, TC
Cormanich, RA
Santos, FP
Tormena, CF
Rittner, R
Abstract: The infrared spectra of trans-2-bromo-alkoxycyclohexanes (alcoxy= OMe, OEt, O'Pr and O'Bu) were obtained for the neat liquid, and the C-Br stretching mode was quantitatively analyzed to give insight about the conformational isomerism of these compounds. Frequency calculations supported the band assignments, and the relative band intensities suggest that the diaxial conformer is prevalent for the methoxy and tert-butoxy derivatives (51 and 56%, respectively), while the diequatorial form is preponderant for the ethoxy and isopropoxy derivatives (76 and 77%. respectively). Therefore, the size of the alkoxy group plays a determinant role in determining the conformational preferences of the title compounds. (C) 2011 Elsevier B.V. All rights reserved.
Subject: trans-2-Bromo-alkoxycyclohexanes
Conformational analysis
Infrared spectroscopy
Steric effects
Alkoxy groups
Country: Inglaterra
Editor: Pergamon-elsevier Science Ltd
Citation: Spectrochimica Acta Part A-molecular And Biomolecular Spectroscopy. Pergamon-elsevier Science Ltd, v. 81, n. 1, n. 359, n. 362, 2011.
Rights: fechado
Identifier DOI: 10.1016/j.saa.2011.06.023
Date Issue: 2011
Appears in Collections:Unicamp - Artigos e Outros Documentos

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