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Electric Field Effects on 2JHH Spin-Spin Coupling Constants
The Department of Chemistry, The University, Sheffield S3 7HF, UK
Received: 18 October 2002; Accepted: 2 January 2003 / Published: 4 April 2003
Abstract: Some calculations of the electric field derivative of the spin-spin coupling constant on molecules in the series CH3F, CH3Cl, CH3Br, CH3I, CH4, CH3Li, CH3Na and CH3K have been presented. The data is broken down into the 4 terms of the Ramsey theory: Fermi contact (FC); diamagnetic spin-orbit (DSO); paramagnetic spinorbit (PSO) and spin-dipolar (SD). The FC term is seen to dominate all the calculated Js and their derivatives presented here. The situation where the FC term does not dominate in other molecules is discussed as a contrast.
Keywords: Spin-spin coupling; NMR; electric field; solvent shift
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Grayson, M. Electric Field Effects on 2JHH Spin-Spin Coupling Constants. Int. J. Mol. Sci. 2003, 4, 218-230.
Grayson M. Electric Field Effects on 2JHH Spin-Spin Coupling Constants. International Journal of Molecular Sciences. 2003; 4(4):218-230.
Grayson, Martin. 2003. "Electric Field Effects on 2JHH Spin-Spin Coupling Constants." Int. J. Mol. Sci. 4, no. 4: 218-230.