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NMR investigation into the dynamic behaviour of a novel C 2 ‐symmetric macrocyclic ligand
Author(s) -
Scheuermann J. Erik W.,
Bento Edson S.,
Hawkes Geoffrey E.,
Watkinson Michael
Publication year - 2005
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1539
Subject(s) - chemistry , steric effects , ligand (biochemistry) , amide , activation energy , spectral line , nmr spectra database , stereochemistry , carbon 13 nmr , nuclear magnetic resonance spectroscopy , computational chemistry , crystallography , organic chemistry , astronomy , biochemistry , physics , receptor
The variable‐temperature 1 H NMR spectra of a tosylated triazacyclononane are reported. The spectra show a dynamic process which is assigned to hindered rotation about the amide‐like NS bonds, and a value for the free energy of activation for the rotations is derived, Δ G * = 50.2 kJ mol −1 at 273 K. Steric and electronic factors which influence the barrier are discussed. Copyright © 2005 John Wiley & Sons, Ltd.
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