Cubic ligand fields

Figure 9 Splitting of free-ion D and F ground terms by cubic ligand fields...

Figure 17 The splitting of the 3/f4 state by cubic ligand fields, as a function of x = /(B /B ) of equation (11) and...

Figure 18 Splitting of a ground term by (a) cubic ligand.field, (b) tetragonal ligand field component, (c) spin—orbit coupling in second order and (d) magnetic fields parallel and perpendicular to the tetragonal component axis...

A kB cubic ligand field parameter Boltzmann factor AEq quadrupole splitting... 

The models discussed so far have in common that the electronic energies change continuously with the parameter q (see Eq. 10.5) or, which is equivalent, with 7. The change in q can be correlated with a change of the cubic ligand field strength Dq. 

When the ionised shell r is one of several open shells in the molecule (as may happen with configurations of e and t% electrons in cubic ligand fields), more complicated formulae must be applied. Suppose that the ground state has two open shells r and s in which the electrons are separately coupled to form functions with spin and symmetry (S3A3) and (54 4 4) respectively. Thus we write this state ... 

Table 19-1. DFT values for energies/eV of all 45 Slater determinants (SD) due to the d configuration of Fe in tetrahedral Fe04 in terms of interelectronic repulsion B and C and the cubic ligand-field splitting parameter 0Dq... 

Gbound Terms ron Which Obbital Angular Momentum Is or Is Not Quenched by a Cubic Ligand Field... 

To the extent that the lower symmetry may be considered an axial deformation of the main cubic ligand field one may write the Hamiltonian for the system in the form Aclf + + ( ls +... 

A set of/-orbitals is 7-fold degenerate and there is more than one way to represent them. The cubic set is commonly used and is readily related to tetrahedral, octahedral and cubic ligand fields. The cubic set comprises the /. 3,... 

As described below, the rule of average environments is invoked to predict electronic properties of mixed-ligand complexes with pseudo-octahedral symmetry. The concept of the magnitude of a cubic ligand field is appropriate for complexes that exhibit approximate cubic symmetry. For example, if represents a normalized... 

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