Theory of molecular symmetry in dynamic N.M.R. spectra
- 1 March 1987
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 60 (4) , 897-919
- https://doi.org/10.1080/00268978700100611
Abstract
The theory developed previously (Part I, 1985, Molec. Phys. 55, 763) is extended over intermolecular spin exchange processes in symmetric molecules. A general form of dynamic N.M.R. lineshape equations is derived which is capable of describing any system of symmetric species in which uniand bi-molecular exchange processes occur. It is demonstrated formally that the exchange processes do not couple symmetry-allowed with symmetry-forbidden coherences. Implications of this selection rule for dynamic N.M.R. lineshape calculations are discussed. The theoretical results having practical significance for lineshape calculations are presented in forms suitable for computer implementation.Keywords
This publication has 17 references indexed in Scilit:
- Theory of molecular symmetry in dynamic N.M.R. spectra of intramolecularly exchanging spin systemsMolecular Physics, 1985
- On simple saddle points of a potential surface, the conservation of nuclear symmetry along paths of steepest descent, and the symmetry of transition statesThe Journal of Chemical Physics, 1976
- Mechanisms of ligand association in complexes of the type RML3+X- (M = nickel, palladium, platinum). I. Mechanistic aspects of nuclear magnetic resonance line shape analysis for intermolecular exchange in non-first-order multispin systemsJournal of the American Chemical Society, 1976
- Effect of molecular reorganization on nuclear magnetic resonance line shapes. Permutation of indices methodJournal of the American Chemical Society, 1972
- The symmetry groups of non-rigid molecules as semi-direct productsMolecular Physics, 1970
- Unified theory of exchange effects on nuclear magnetic resonance line shapesJournal of the American Chemical Society, 1969
- The symmetry groups of non-rigid moleculesMolecular Physics, 1963
- Classification of Rotational Energy Levels for Symmetric-Top MoleculesThe Journal of Chemical Physics, 1962
- Exchange of Interacting Nuclear Spins in Nuclear Magnetic Resonance. II. Chemical ExchangeThe Journal of Chemical Physics, 1962
- Exchange Broadening in Nuclear Magnetic ResonanceThe Journal of Chemical Physics, 1958