Analysis of the signs of the components of the tensors of the hyperfine and additional hyperfine interactions in tetragonal complexes of Cu(II)
The absolute signs of the components of the A and A/sup L/ tensors and their mean values have been analyzed on the basis of models of the structure of the delocalized metal-ligand bonds in square-planar complexes of Cu/sup 2 +/ with heavy ligands (Cl, Br), on which information can be obtained from the solution of the inverse problem of ESR spectroscopy, i.e., the calculation of the coefficients in the expansions of MO's in orbitals of the atoms appearing in the complexes from experimental values of the components of the g, A, and A/sup L/ tensors and the energy gaps for the d-d transitions. It has been established that the components of the A and A/sup L/ tensors have opposite signs: A/sub parallel/ < 0, A/sub perpendicular to/ < 0, A/sub parallel//sup L/ > 0, A/sub perpendicular to//sup L/ > 0. It has been shown that consideration of the second-order contributions of the components of the A/sup L/ tensor does not result in changes in the signs, although it is necessary for the correct description of metal-ligand chemical bonds in tetragonal complexes of Cu/sup 2 +/.
- OSTI ID:
- 6509234
- Journal Information:
- Sov. J. Coordinat. Chem.; (United States), Vol. 10:11; Other Information: Translated from Koordinatsionnaya Khimiya; 10: No.11, 1467-1473(Nov 1984)
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
74 ATOMIC AND MOLECULAR PHYSICS
36 MATERIALS SCIENCE
COPPER COMPLEXES
HYPERFINE STRUCTURE
ATOMIC MODELS
CHEMICAL BONDS
COVALENCE
ELECTRON SPIN RESONANCE
ELECTRONIC STRUCTURE
ENERGY-LEVEL TRANSITIONS
HYBRIDIZATION
INTERATOMIC DISTANCES
IRREDUCIBLE REPRESENTATIONS
LIGANDS
SPECTRA
SPIN
TENSORS
TETRAGONAL LATTICES
ANGULAR MOMENTUM
COMPLEXES
CRYSTAL LATTICES
CRYSTAL STRUCTURE
DISTANCE
MAGNETIC RESONANCE
MATHEMATICAL MODELS
PARTICLE PROPERTIES
RESONANCE
TRANSITION ELEMENT COMPLEXES
400201* - Chemical & Physicochemical Properties
640302 - Atomic
Molecular & Chemical Physics- Atomic & Molecular Properties & Theory
360602 - Other Materials- Structure & Phase Studies