Magnetic circular dichroism of low symmetry cupric sites Article

Gerstman, BS, Brill, AS. (1985). Magnetic circular dichroism of low symmetry cupric sites . Journal of Chemical Physics, 82(3), 1212-1230. 10.1063/1.448494

cited authors

  • Gerstman, BS; Brill, AS

abstract

  • General properties of the MCD of cupric ions in ligand fields of low symmetry are described. C terms arising from spin-orbit coupling are dominant at liquid helium temperatures If spin-orbit coupling of the excited states to the ground state is negligible compared with spin-orbit coupling of the excited states among themselves, then the C values for the transitions sum to zero. It follows that nonvanishing of the sum of the C values over all transitions is due to spin-orbit coupling with the ground state. This net rotational offset is calculated for hybrid orbital "united atom" models of the electronic states of the metal-ligand complexes. Simulations of C term spectra from hybrid atomic orbital models illustrate relations between MCD features and properties of low symmetry cupric sites. © 1985 American Institute of Physics.

authors

publication date

  • January 1, 1985

published in

Digital Object Identifier (DOI)

start page

  • 1212

end page

  • 1230

volume

  • 82

issue

  • 3