Orbital diagram, for

Figure 7.31 Walsh molecular orbital diagram for AH2 molecules...

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).

Figure B A qualitative molecular orbital diagram for ferrocene. The subscripts g and u refer to the parity of the orbitals g (German gerade, even) indicates that the orbital (or orbital combination) is symmetric with respect to inversion, whereas the subscript u (ungerade, odd) indicates that it is antisymmetric with respect to inversion. Only orbitals with the same parity can combine.

Orbital diagrams for atoms with five to ten electrons. Orbitals of equal energy are all occupied by unpaired electrons before pairing begins. 

Following this principle, the orbital diagrams for the elements boron through neon are shown in Figure 6.10. Notice that—... 

Construct orbital diagrams for atoms of sulfur and iron. 

Derive orbital diagrams for high-spin and low-spin complexes. 

Figure 1.11 A molecular orbital diagram for OSO4. (Reprinted with permission from Inorg. Chem., 1992, 31, 1588. Copyright American Chemical Society.)...

Figure 6-1. Schematic molecular orbital diagram for heteronuclear first-row diatomics.

A schematic molecular orbital diagram for the Fe-Fe interaction in an S = I valence-delocalized Fe Fe pair based on effective C v symmetry at the Fe sites and the observed electronic transitions for the valance-delocalized [Fe2S2l cluster is shown in Fig. 15. The dominant interaction (responsible for the S = ground state) is the a overlap between the pair of orbitals, with progressively smaller tt interactions between pairs of d z and dyz orbitals and S interactions between pairs of d y amd / orbitals. The three highest energy tran-... 

Caulton and Fenske began with a molecular orbital diagram for CO (see Fig. 1). The two orbitals of interest here are, of course, the Scr- and 277-orbitals. The Sa-orbital, assumed in valence-bond theory to be a carbon orbital, has in reality a small contribution from oxygen also (Sa = 0.664 2s + 0.059 2s — 0.664 2p — 0.364 2p ). One can see from the choice of... 

The data show that bond energies for these three diatomic molecules increase moving across the second row of the periodic table. We must construct molecular orbital diagrams for the three molecules and use the results to interpret the trend. 

Draw a schematic molecular orbital diagram for the adsorption of a diatomic molecule on a d metal. 

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

Fig. 5. A schematic band structure and molecular orbital diagram for a conjugated polymer containing no mid-gap states.

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 3.8 Molecular orbital diagrams for second-row homonudear diatomic molecules. 

FIGURE 3.9 Molecular orbital diagrams for some heteronudear molecules and ions of second-row elements. 

In addition to the homonudear molecules, the elements of the second period form numerous important and interesting heteronudear species, both neutral molecules and diatomic ions. The molecular orbital diagrams for several of these species are shown in Figure 3.9. Keep in mind that the energies of the molecular orbitals having the same designations are not equal for these species. The diagrams are only qualitatively correct. 

In this chapter, the descriptions of molecular structure will be primarily in terms of a valence bond approach, but the molecular orbital method will be discussed in Chapter 5. As we shall see, construction of molecular orbital diagrams for polyatomic species is simplified by making use of symmetry, which will also be discussed in Chapter 5. 

Having considered the case of the H20 molecule, we would like to be able to use the same procedures to construct the qualitative molecular orbital diagrams for molecules having other structures. To do this requires that we know how the orbitals of the central atom transform when the symmetry is different. Table 5.5 shows how the s and p orbitals are transformed, and more extensive tables can be found in the comprehensive books listed at the end of this chapter. 

Having seen the development of the molecular orbital diagram for AB2 and AB3 molecules, we will now consider tetrahedral molecules such as CH4, SiH4, or SiF4. In this symmetry, the valence shell s orbital on the central atom transforms as A, whereas the px, py, and pz orbitals transform as T2 (see Table 5.5). For methane, the combination of hydrogen orbitals that transforms as A1 is... 

The hydrogen group orbitals are referred to as symmetry adjusted linear combinations (SALC). Although their development will not be shown here, the molecular orbital diagrams for other tetrahedral molecules are similar. 

FIGURE 5.12 The molecular orbital diagram for a tetrahedral molecule such as CH4. 

I FIGURE 5.17 Molecular orbital diagram for the allyl species. 

Use the symmetry of the atomic orbitals of the central atom to construct (using appropriate hydrogen group orbitals) the molecular orbital diagrams for the following. 

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