Angular overlap energies

FIGURE 10-27 Angular Overlap Energies of four- and six-Coordinate Complexes. Only ct bonding is considered, (a) Octahedral and square-planar geometries, both strong- and weak-field cases. 

Fig. 36. Angular overlap energy levels for a two orbital problem. In order to ensure the odd moments of the system are zero the Huckel a values of the two basis orbitals are set at a...

The term angular overlap model was first used in 1965 to describe a more general treatment, which may also be called the model (12,13). The relative energies of the orbitals in a partly-filled /-shell are expressed in terms of the parameters ex (X = a, rr, etc.), whose coefficients can be calculated from the geometry of the system. The eK model was developed from perturbation theory, but is equivalent to the E2 model when only a-overlap is considered, and to the Yamatera-McClure model for orthoaxial chromophores with linear ligators. The notation ex is often used, where ... 

Table 1. Angular overlap parameters in tetragonal Cr(III) systems, taken from Refs. 57 and 58. All energies are in kK...

The application of the angular overlap method to MXg chromophores of trigonal bipyramidal and square p3u-amidal stereochemistry leads to the patterns of Fig. 2 for the energies of the antibonding "d molecular orbitals (dc). The crystal field model leads to a similar pattern. 

Jorgensen has given a classification of the energy levels in NiXs chromophores of Dsh symmetry using the angular overlap model [59). Assuming values for the parameters e< , e, and e which are the same as... 

Figure 14 Energies of a metal d-orbitals as a function of geometry using the parameters of the angular overlap model.

Table 70 Angular Overlap Method (AOM) d-Oribital a- and -Interaction Energies for Various Regular Copper(II)...

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