Ligand field activation energy

Fig. 5. Variation with successive filling of d-orbitals of ionic radii, rM, ligand field activation energies, LFAE, calculated for D ( ) and A ( ) mechanisms, AG 98 2 and A V for water exchange on [M(H20)6]2+/3+.

Ligand Field Activation Energies Calculated by Angular Overlap... 

The sequence of reactivity of the divalent first-row transition metal ions does not correlate with the radii of the ions and is largely independent of the reaction mechanism. The rate constants are sensitive to the electron configuration and semi-quantitatively coincide with predictions based on ligand field activation energies and molecular orbital calculations [23, 33, 34]. 

Chapter 12 Coordination Chemistry IV Reactions and Mechanisms TABLE 12.3 Ligand Field Activation Energies... 

The ligand field activation energy (LFAE) is defined as the difference in the LFSE for the TS minus that of the reactants. Assuming a square pyramidal dissociative intermediate, the LFAEs for the different d" electron configurations are listed in Table 17.5. 

TABLE 17.5 Ligand field activation energies (LFAE) for an octahedral reactant and a square pyramidal transition state. 

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