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Gas–Phase Studies of Spin–Spin Coupling Constants
Laboratory of NMR Spectroscopy, Department of Chemistry, University of Warsaw, ul. Pasteura 1, 02-093 Warszawa, Poland
Received: 30 August 2002; Accepted: 4 November 2002 / Published: 25 February 2003
Abstract: 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.
Keywords: NMR spectra; spin-spin coupling; gas phase; molecular interactions
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Jackowski, K. Gas–Phase Studies of Spin–Spin Coupling Constants. Int. J. Mol. Sci. 2003, 4, 135-142.
Jackowski K. Gas–Phase Studies of Spin–Spin Coupling Constants. International Journal of Molecular Sciences. 2003; 4(3):135-142.
Jackowski, Karol. 2003. "Gas–Phase Studies of Spin–Spin Coupling Constants." Int. J. Mol. Sci. 4, no. 3: 135-142.