Advanced

Characterization of Chemical Exchange Using Residual Dipolar Coupling

Igumenova, Tatyana I.; Brath, Ulrika LU ; Akke, Mikael LU and Palmer, Arthur G. (2007) In Journal of the American Chemical Society 129(44). p.13396-13396
Abstract (Swedish)
Abstract in Undetermined

NMR line shape analysis and relaxation dispersion measurements for N,N-dimethyltrichloroacetamide (DMTCA) weakly aligned using poly-γ-benzyl-l-glutamate, which forms a lyotropic nematic phase when dissolved in chloroform, were used to characterize chemical exchange kinetics for the rotation around the C−N amide bond. At low temperatures (<312 K), slow-exchange 1H-coupled 13C NMR spectra show two resolved 13C methyl quartets with different residual dipolar coupling constants (RDCs). At high temperatures (>312 K), a single population-averaged 13C methyl quartet is observed; in this regime, the differences in RDCs contribute to differential line broadening of the quartet components.... (More)
Abstract in Undetermined

NMR line shape analysis and relaxation dispersion measurements for N,N-dimethyltrichloroacetamide (DMTCA) weakly aligned using poly-γ-benzyl-l-glutamate, which forms a lyotropic nematic phase when dissolved in chloroform, were used to characterize chemical exchange kinetics for the rotation around the C−N amide bond. At low temperatures (<312 K), slow-exchange 1H-coupled 13C NMR spectra show two resolved 13C methyl quartets with different residual dipolar coupling constants (RDCs). At high temperatures (>312 K), a single population-averaged 13C methyl quartet is observed; in this regime, the differences in RDCs contribute to differential line broadening of the quartet components. Self-consistent measurements of the difference in RDCs are obtained from both line shape and relaxation dispersion techniques. The results show that NMR spectroscopy of weakly aligned molecules allows complete characterization of chemical exchange processes using RDCs, even if exchange broadening is absent in isotropic samples. (Less)
Please use this url to cite or link to this publication:
author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Journal of the American Chemical Society
volume
129
issue
44
pages
13396 - 13396
publisher
The American Chemical Society
external identifiers
  • wos:000250819200019
  • scopus:35948981100
ISSN
1520-5126
DOI
10.1021/ja0761636
language
English
LU publication?
yes
id
2e71238f-f54c-444a-b28e-5a900ff4e762 (old id 572532)
date added to LUP
2007-10-31 12:29:36
date last changed
2017-06-18 04:33:58
@article{2e71238f-f54c-444a-b28e-5a900ff4e762,
  abstract     = {<b>Abstract in Undetermined</b><br/><br>
NMR line shape analysis and relaxation dispersion measurements for N,N-dimethyltrichloroacetamide (DMTCA) weakly aligned using poly-γ-benzyl-l-glutamate, which forms a lyotropic nematic phase when dissolved in chloroform, were used to characterize chemical exchange kinetics for the rotation around the C−N amide bond. At low temperatures (&lt;312 K), slow-exchange 1H-coupled 13C NMR spectra show two resolved 13C methyl quartets with different residual dipolar coupling constants (RDCs). At high temperatures (&gt;312 K), a single population-averaged 13C methyl quartet is observed; in this regime, the differences in RDCs contribute to differential line broadening of the quartet components. Self-consistent measurements of the difference in RDCs are obtained from both line shape and relaxation dispersion techniques. The results show that NMR spectroscopy of weakly aligned molecules allows complete characterization of chemical exchange processes using RDCs, even if exchange broadening is absent in isotropic samples.},
  author       = {Igumenova, Tatyana I. and Brath, Ulrika and Akke, Mikael and Palmer, Arthur G.},
  issn         = {1520-5126},
  language     = {eng},
  number       = {44},
  pages        = {13396--13396},
  publisher    = {The American Chemical Society},
  series       = {Journal of the American Chemical Society},
  title        = {Characterization of Chemical Exchange Using Residual Dipolar Coupling},
  url          = {http://dx.doi.org/10.1021/ja0761636},
  volume       = {129},
  year         = {2007},
}