Next Article in Journal / Special Issue
The Spin–Spin Coupling Constants in Ethane, Methanol and Methylamine: A Comparison of DFT, MCSCF and CCSD Results
Previous Article in Journal
Phosphorescent Organic Light-Emitting Devices: Working Principle and Iridium Based Emitter Materials
Previous Article in Special Issue
Solvent Effects on the Indirect Spin–Spin Coupling Constants of Benzene: The DFT-PCM Approach
Open AccessArticle

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
Int. J. Mol. Sci. 2003, 4(3), 135-142;
Received: 30 August 2002 / Accepted: 4 November 2002 / Published: 25 February 2003
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. View Full-Text
Keywords: NMR spectra; spin-spin coupling; gas phase; molecular interactions NMR spectra; spin-spin coupling; gas phase; molecular interactions
Show Figures

Figure 1

MDPI and ACS Style

Jackowski, K. Gas–Phase Studies of Spin–Spin Coupling Constants. Int. J. Mol. Sci. 2003, 4, 135-142.

Show more citation formats Show less citations formats

Article Access Map by Country/Region

Only visits after 24 November 2015 are recorded.
Back to TopTop