Octahedral complex molecular orbital diagram

Fig. 2. Simplified molecular orbital diagram for a low spia octahedral complex, such as [Co(NH3 )g, where A = energy difference a, e, and t may be antisymmetric (subscript ungerade) or centrosymmetric (subscript, gerade) symmetry orbitals. See text.

Figure 19.14 Molecular orbital diagram for an octahedral complex of a first series transition metal (only a interactions are considered in this simplified diagram).

Fig. 4.4 Molecular orbital diagram for octahedral complexes (cr-interaction only)...

Figure 5 Schematic presentation of a molecular orbital diagram for an octahedral d6 metal complex involving 2,2 -bipyridyl-type ligands, in which various possible transitions are indicated.

FIGURE 18.9 Interpretation of M—charge transfer absorption in an octahedral complex using a modified molecular orbital diagram.The transitions are from e or t2g orbitals on the metal to orbitals on the ligands. 

Figure 1.8 Molecular orbital diagram for an octahedral d-block metal complex ML6. The vertical arrows indicate different types of electron transition that may be brought about by photon absorption...

Fig. 11.20 A cr-bord molecular orbital diagram for a complex of octahedral symmetry...

Figure 1-12. Simplified molecular orbital diagram for the formation of an octahedral ML6 complex in which there are no Tt-bonding interactions between metal and ligand. The labels on the molecular orbitals refer to their symmetries. Notice the central region may be equated to the crystal field splitting of the d orbitals.

Fig. 6. Molecular orbital diagram for an octahedral transition metal complex MLe illustrating different types of electronic transitions based on localized orbital configurations (MC, metal-centered LC, ligand-centered MLCT, metal-to-ligand charge transfer LMCT, ligand-to-metal charge transfer). Adapted from Ref. (1).

Fig. 11.53 Simplified molecular orbital diagram for an octahedral ML complex showing possible metal-to-ligand charge transfer (MLCT) transitions when both the t-ig and orbitals are occupied and the ligands have empty ir orbitals.

Fig. 5. Molecular orbital diagram for an octahedral metal complex having monoatomic (T donor and tt donor ligands, where n and n are the principal quantum numbers of the metal and ligand valence orbitals, respectively.

Figure 1 Molecular orbital diagram for an octahedral complex with o--only Interactions. Population of the molecular orbitals by 18-electrons results In occupation of six bonding and three nonbonding orbitals, with no occupation of antibonding orbitals. As such, it provides a simple rationalization for the concept of the 18-electron rule a 20-electron complex with occupied antibonding orbitals would be expected to be unstable and dissociate a ligand to transform to an 18-electron complex, while a 16-electron complex would be able to bind an additional ligand and transform to an 18-electron complex. However, the nature of the molecular orbital diagram depends critically on the molecular structure (for example, see Figure 2) and so this explanation is necessarily over simplistic.

Fig. 3 UMP2/6-311 + G molecular orbital diagram for a 5 = 1 [FeO] complex in an octahedral environment [22], The 7t orbitals are 41 and 42 on the a manifold, and 41 and 43 on the P manifold 43p illustrates a distinct hole in the oxygen p orbitals, and implicitly 38p illustrates one extra electron in the Fe orbitals, compared to the expected Fe(IV) d" description— hence, a d Fe(III) iron bound to an oxyl ligand...

The molecular orbital diagram for even a simple octahedral complex looks complicated (Figure 5), but most of the time the information needed may be obtained by just considering the circled region, containing five orbitals tig with threefold degeneracy and eg with twofold degeneracy. 

Figure 5 Molecular orbital diagram for a simple octahedral complex.

FIGURE 15 Molecular orbital diagram of an octahedral complex considering, (a) -bonding only, (b) a- and jr-bonding between the central Ion and the ligand. 

Figure 11.2 Simplified molecular orbital diagram and allowed electronic transitions for an octahedral complex with a it-donor ligand.

Fig. 5.2 Qualitative molecular orbital diagram for an octahedral complex, ML cr-bonding only considered.

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