The influence of symmetry on the conformational dependences of various molecular parameters
- 15 November 1975
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 63 (10), 4515-4518
- https://doi.org/10.1063/1.431131
Abstract
It is shown how the symmetry properties of the linked groups in a molecule help to reduce the number of harmonics in the Fourier series expansions of aggregate, mononuclear, and binuclear parameters as a function of the dihedral angles. This provides a rationalization for some well‐known conformational dependences of the torsional potentials, hyperfine couplings, and internuclear interactions and helps to predict how these simple formulas break down when the conformations become more complex.Keywords
This publication has 14 references indexed in Scilit:
- Electron spin resonance studies of fluoroalkyl radicals in solutions. I. Structures, conformations, and barriers to hindered internal rotationThe Journal of Physical Chemistry, 1974
- Angular dependence of the β-proton isotropic hyperfine coupling constantThe Journal of Chemical Physics, 1973
- Halogen bridging in the 2-chloroethyl radicalChemical Physics Letters, 1973
- Origin of the E.S.R. hyperfine anisotropy and the cos2θ rule of the β-fluorine couplingsMolecular Physics, 1971
- Stereochemical dependence of thevicinalproton-fluorine coupling constantsMolecular Physics, 1971
- More on the symmetry of non-rigid moleculesMolecular Physics, 1971
- Detailed analysis of the singularities and origin of the ‘extra’ lines in the E.S.R. spectrum of the·CF3radical in a polycrystalline matrixMolecular Physics, 1970
- Theory of Line Widths in Electron Spin Resonance Spectra: Motion of Methyl GroupsJournal of the American Chemical Society, 1964
- The symmetry groups of non-rigid moleculesMolecular Physics, 1963
- Calculation of Energy Levels for Internal Torsion and Over-All Rotation. I. CH3BF2 Type MoleculesThe Journal of Chemical Physics, 1955