Anisotropy of Nuclear Spin-Spin Coupling in Methyl Fluoride
- 15 June 1972
- journal article
- research 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
This publication has 22 references indexed in Scilit:
- Self-Consistent Perturbation Theory of Nuclear Spin-Coupling Constants: Application to Couplings Involving Carbon and FluorineThe Journal of Chemical Physics, 1971
- Nuclear magnetic resonance spectra in liquid crystals and molecular structureAccounts of Chemical Research, 1971
- Theory of the anisotropy of nuclear spin couplingJournal of Magnetic Resonance (1969), 1970
- Anisotropies and Absolute Signs of the Indirect Spin–Spin Coupling Constants in 13CH3FThe Journal of Chemical Physics, 1970
- Anisotropic nuclear spin-spin coupling in methyl fluorideJournal of the American Chemical Society, 1969
- The calculation of nuclear spin coupling constants from Ab Initio wavefunctionsJournal of Magnetic Resonance (1969), 1969
- Molecular orbital theory of the electronic structure of organic compounds. I. Substituent effects and dipole momentsJournal of the American Chemical Society, 1967
- Analysis of Nuclear Magnetic Resonance Spectra of Molecules in Liquid-Crystal SolventsThe Journal of Chemical Physics, 1965
- Electron Coupled Interactions between Nuclear Spins in MoleculesPhysical Review B, 1953
- New Developments in Molecular Orbital TheoryReviews of Modern Physics, 1951