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Type: Artigo de periódico
Title: Solvent effects in the (2)J(HH), (3)J(HH), (1)J(NC) and (2)J(NC) coupling constants in the NMR spectrum of acetylcholine chloride
Author: Sega, EM
Tormena, CF
de Oliveira, PR
Rittner, R
Tinoco, LW
Figueroa-Villar, JD
Hoehr, NF
Abstract: Coupling constant values (J(NH) and J(NC)) obtained from H-1 and C-13 NMR spectra of acetylcholine chloride (ACh) in several solvents with a wide range of permittivity constants (epsilon) are remarkably invariant, indicating the absence of solvent effects in the conformational equilibrium of this compound. The values show that the OCH2CH2N+ system occurs in a gauche arrangement. J(NH) and J(NC) are observable in most solvents, but not in chlorine-containing solvents, and are not dependent on solvent viscosity. This behavior was explained using data from T-1 measurements. The measurement of NMR diffusion coefficients shows that ACh has a greater tendency to aggregate when dissolved in chlorinated solvents, a fact that could explain the observed differences in N-14 T-1. (c) 2006 Elsevier B.V. All rights reserved.
Subject: acetylcholine chloride
conformational analysis
quadrupolar relaxation
NMR spectroscopy
PFG NMR experiments
Country: Holanda
Editor: Elsevier Science Bv
Citation: Journal Of Molecular Structure. Elsevier Science Bv, v. 797, n. 41699, n. 44, n. 48, 2006.
Rights: fechado
Identifier DOI: 10.1016/j.molstruc.2006.03.012
Date Issue: 2006
Appears in Collections:Unicamp - Artigos e Outros Documentos

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