Ligand field stabilization energy calculation

When ligand field stabilization energies for glassy and molten state complexes are predicted using the methodologies described in this chapter, one calculates the best value of P to match experimental data. 

The difference between ligand field stabilization energies above and below die glass-transition temperature, in which coordinatively imsaturated molten state complexes exhibit reduced symmetry relative to 6-coordinate complexes in die glassy state, is calculated as follows ... 

TABLE 2.17 The Normal/Inverse Spinel Structure Decision by the Calculation of the Ligand Field Stabilization Energy, As Based on the Data of Table 2.16 After (Lancashire, 2002)... 

If we examine the two five-coordinate shapes from a crystal field perspective, the d orbitals split in a different way to that found for octahedral, tetrahedral and square planar shapes since the d orbitals find the ligands in clearly different locations in space. The crystal field splitting pattern for the two is shown in Figure 4.14. From this pattern, crystal field stabilization energies can be calculated, and favour the square pyramidal geometry in all cases (apart from the trivial situations d° and d10) except for high spin d5. This prediction differs from the outcome from the electron pair repulsion model. 

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