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Type: Artigo de periódico
Title: Stereochemical behavior of (1)J(CH) and (2)J(CH) NMR coupling constants in alpha-substituted acetamides
Author: Pedersoli, S
Tormena, CF
dos Santos, FP
Contreras, RH
Rittner, R
Abstract: A rationalization of the stereochemical behavior of (1)J(CH) and (2)J(CH) coupling constants, involving nuclei in the vicinity of a carbonyl group were carried out in fluoroacetamide (1), chloroacetamide (2), bromoacetamide (3) and cyanoacetamide (4). (1)J(CH) and (2)J(CH) experimental and theoretically calculated coupling constant together with a qualitative analyses of hyperconjugative interactions through NBO data, showed that observed behavior is mainly due to the hyperconjugative interactions and electrostatic effects. (C) 2008 Elsevier B.V. All rights reserved.
Subject: Stereochemical behavior
Hyperconjugative interactions
(1)J(CH) and (2)J(CH) coupling constants
alpha-Substituted acetamides
Country: Holanda
Editor: Elsevier Science Bv
Rights: fechado
Identifier DOI: 10.1016/j.molstruc.2008.04.040
Date Issue: 2008
Appears in Collections:Artigos e Materiais de Revistas Científicas - Unicamp

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