Crystal angular overlap model

Two symmetry parameterizations of the angular overlap model of the ligand field. Relation to the crystal field model. C. E. Schaffer, Struct. Bonding (Berlin), 1973,14, 69-110 (33). 

Crystal field splitting parameter, 2, 309 Crystal field theory, 1, 215-221 angular overlap model, 1, 228 calculations, 1, 220 generality, 1,219 low symmetry, 1,220 /-orbital, 1, 231 Crystal hydrates, 2, 305,306 bond distances, 2, 307 Crystals... 

Schaffer CE (1968) A Perturbation Representation of Weak Covalent Bonding. 5 68-95 Schaffer CE (1973) Two Symmetry Parameterizations of the Angular-Overlap Model of the Ligand-Field. Relation to the Crystal-Field Model. 14 69-110 Scheldt WR, Lee YJ (1987) Recent Advances in the Stereochemistry of Metallotetrapyrroles. 64 1-70... 

Schaffer, C.E. Two Symmetry Parameterizations of the Angular-Overlap Model of the Ligand-Field. Relation to the Crystal-Field Model. Vol. 14, pp. 69-110. 

Five-coordination constitutes an important part of cobalt(II) chemistry both the crystal field and angular overlap models have been used in the analysis of their d—d spectra. Earlier work in this area has been reviewed previously (75). 

Hiickel calculations have been employed extensively in other approaches such as the angular overlap model and the method of moments developed by Burdett and coworkers. Stabilities of crystal structures, pressure- and temperature-induced transitions, dynamical pathways in reactions and other phenomena have been analysed using angular overlap models. Thus, the electronic control of rutile structures and the stability of the defect structure of NbO have been examined (Burdett, 1985 Burdett Mitchell, 1993). In the case of NbO, the structure is stable at involving the formation... 

As a last remark, it should be mentioned that also a few evaluations of the crystal-field parameters of Pr3"1" in LaCH in the scope of the angular overlap model have been made. Urland et al. (1985) andUrland (1989) used the angular overlap model to calculate the crystal-field splittings of LaCHiPr3"1" under pressure. In addition, Gregorian et al. (1989) derived the parameters of both models and found that both approaches were capable to successfully describe the high-pressure results. 

The Angular Overlap Model is a ligand field model which uses parameters20 (A = a, n, 6...) for expressing the orbital energies. For d orbitals X can be only a, n and <5, but it is customary to use as parameters e = e a - ej and e = e - ej. In octahedral complexes a simple correlation exists between these parameters and the usual crystal field parameters21 ... 

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