Single-crystal electronic and electron spin resonance spectra of dichlorobis-(2-methylpyridine)copper(II)

Authors:
  • RDR. J. Dudley
    R. J. Dudley
  • BHB. J. Hathaway
    B. J. Hathaway
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Abstract
The single-crystal polarised electronic and e.s.r. spectra of dichlorobis-(2-methylpyridine)copper(II) have been measured. The single-crystal g-values correlate with the monomeric local copper(II) co-ordinate axes and not with the co-ordinate axes of the dinuclear copper(II) species; they suggest a dx2–y2 ground state. The polarised single-crystal electronic spectra have been interpreted in both D2 and C2v effective symmetries. Reasons are given why the latter symmetry which yields the tentative one-electron orbital sequence dx2–y2 > dyz > dz2≈dxz, with the position of the dxy orbital uncertain, is preferred. The orbital reduction parameters are evaluated and discussed in terms of π-bonding within the molecule.