Gas–Phase Studies of Spin–Spin Coupling Constants

Recent results of experimental spin-spin coupling constants are reviewed and their relation to ab initio calculations is discussed. It is shown that the NMR measurements of spin-spin coupling are density dependent in the gas phase. The extrapolation to the zerodensity limit is required in order to o...

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Bibliographic Details
Published in:International journal of molecular sciences 2003-03, Vol.4 (3), p.135-142
Main Author: Jackowski, Karol
Format: Article
Language:English
Subjects:
Chemical compounds
gas phase
Gases
molecular interactions
NMR
NMR spectra
Nuclear magnetic resonance
Solvents
spin-spin coupling
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Summary:Recent results of experimental spin-spin coupling constants are reviewed and their relation to ab initio calculations is discussed. It is shown that the NMR measurements of spin-spin coupling are density dependent in the gas phase. The extrapolation to the zerodensity limit is required in order to obtain the Jo coupling constants which are free from intermolecular interactions. Such coupling constants can be used as the experimental standards for any comparison with the results of appropriate calculations. It is also pointed out that the effects of the rotational and vibrational motion of nuclei in a molecule can be estimated completely only by theoretical methods.
ISSN:1422-0067
1661-6596
1422-0067
DOI:10.3390/i4030135