Atomic orbital correlation diagram

On the basis of state correlation diagrams we may occasionally make predictions at variance with those based on orbital correlation diagrams, especially where radical species are involved. Consider the three atom electrocyclic process (34) with reference to Table 3 and Fig. 9. The most... 

Figure 3 Orbital correlation diagram between a main-group atom E and six a bonded ligands X in octahedral EXe...

Figure 4.17. a) Natural orbital correlation diagram for hydrogen atom abstraction by a carbonyl compound and b) orbital correlations after introducing interactions between orbitals of equal symmetry. 

Molecular orbital correlation diagrams for heteronuclear diatomics start with the energy levels of the more electronegative atom displaced downward, because... 

FIGURE 8.7 Orbital correlation diagram for a typical transition metal monoxide. The metal 3d and 4s atomic orbitals are nearly degenerate, and we have located 45 < Esdto simplify the resulting MO level diagram. We also assume no 4s-3d 2 mixing. 

An orbital correlation diagram can be constructed by examining the symmetry of the reactant and product orbitals with respect to this plane, as shown in Figure 10.1. An additional feature must be taken into account in the case of cyclohexene. The cyclohexene orbitals CTj, a2, CTi, and (T2 are called symmetry-adapted orbitals. We might be inclined to think of the ct and a orbitals as being localized between specific pairs of carbon atoms, but this is not the case for the MO treatment because localized... 

The orbital correlation diagram for the square planar to tetrahedral transformation is shown in Figure 5.10. The hydrogen atoms at the top of the figure have been labeled for easy reference. The H1-H3 and H2-H4 distances become. shorter while those for H1-H2 and FT3-H4 stay roughly constant along the distortion pathway. It... 

FIGURE 17.9. Orbital correlation diagram for the a and aj orbitals of the syrninetric bridge structure, a.s the X atom is moved off center. Kncrgetically the picture is. symmetrical about the center but the orbital descriptions at the left- and right-hand sides of the diagram are dilTerenl. 

Orbital correlation diagram for ethane + ethene atom transfer reaction. (Adapted from reference 14.)... 

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