The Electron Spin Resonance Spectrum of Copper-Doped Palladium bis-Benzoylacetonate Crystals

  • Michael A. Hitchman
  • R. Linn Belford
Conference paper


The EPR spectrum of about 0.5% Cu2+ diluted into the two crystalline forms of Pd bis-benzoylacetonate is reported. The spectrum of the (\(11\bar{1}\)) face of the needle modification shows an anomalous doubling of the EPR lines which is explained by the presence of twinning in this crystallographic form. The principal g values and directions have been obtained in terms of an arbitrary molecular coordinate system using a specially written computer program. The following parameters result: gx = 2.0490; gy = 2.0478; gz = 2.2428; A = −181 x 10−4 cm−1, B = − 28 x 10−4 cm −1; with the in-plane g axes lying approximately between, rather than along, the copper-oxygen bonds. These results are used to estimate bonding parameters for the molecule. For comparative purposes bonding parameters for Cu bis-acetylacetonate have been recalculated from the EPR data of Maki and McGarvey using recent estimates of the d-level energies. While the σ-bonding molecular orbital coefficients are almost the same in the two chelates, both the in-plane and out-of-plane π-bonding coefficients are significantly smaller in the complex with the phenyl-substituted ligand. The orientation of the g tensor implies that the along-the-bonds rhombic effect of the phenyl groups does not affect the orientation of the (xz) and (yz) orbitals, and causes ho significant contamination of the ground-state orbital by the (3z 2r 2) orbital, which can therefore be ignored in deriving the covalency parameters.


Electron Spin Resonance Electron Spin Resonance Spectrum Euler Angle Magnetic Vector Monoclinic Space Group 
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Copyright information

© Plenum Press, New York 1969

Authors and Affiliations

  • Michael A. Hitchman
    • 1
  • R. Linn Belford
    • 1
  1. 1.Noyes Chemical Laboratory and Materials Research LaboratoryUniversity of IllinoisUrbanaUSA

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