The influence of symmetry on the conformational dependences of various molecular parameters
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 wellknown 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.
 Publication:

Journal of Chemical Physics
 Pub Date:
 November 1975
 DOI:
 10.1063/1.431131
 Bibcode:
 1975JChPh..63.4515M
 Keywords:

 Hyperfine Structure;
 Internuclear Properties;
 Molecular Structure;
 Symmetry;
 Torsional Vibration;
 Chemical Equilibrium;
 Degrees Of Freedom;
 Dihedral Angle;
 Fourier Analysis;
 Harmonic Analysis;
 Raman Spectra;
 Zeeman Effect;
 Atomic and Molecular Physics;
 02.20.Nq;
 31.10.Cc