Anisotropy of Nuclear Spin-Spin Coupling in Methyl Fluoride
- 15 June 1972
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 56 (12) , 5823-5829
- https://doi.org/10.1063/1.1677122
Abstract
Equations for indirect nuclear spin coupling tensors are developed within the framework of Hartree-Fock perturbation theory. Calculated values for CF, CH, HF, and HH spin-spin coupling anisotropies (pseudodipolar couplings) in methyl fluoride are compared with the results suggested by recent experimental work. An estimate of the importance of including pseudodipolar coupling in the determination of molecular geometry by NMR in liquid crystals is made.Keywords
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