Correlation diagrams homonuclear diatomics

To extend the correlation diagram to second-row diatomics (Figure 9.2), let us consider the possible symmetry species associated with the symmetry group of homonuclear diatomics, F>oo/i-... 

FIGURE 5-12 Correlation Diagram for Homonuclear Diatomic Molecular Orbitals. 

FIGURE 8.6 Orbital correlation diagram for homonuclear diatomic molecules of the transition metals... 

Figure 11.20 MO occupancy and molecular properties for B2 through Ne2- The sequence of MOs and their electron populations are shown for the homonuclear diatomic molecules in the p block of Period 2 [Groups 3A(13) to 8A(18)]. The bond energy, bond length, bond order, magnetic properties, and outer (valence) electron configuration appear below the orbital diagrams. Note the correlation between bond order and bond energy, both of which are inversely related to bond length.

Fig. 3.5 displays Mulliken s [2] generalized orbital correlation diagram for homonuclear diatomic molecules, which has been of seminal importance for the elucidation of the electronic structure of molecules. Only the atomic levels n = 1,2 have been included on its right on the left, the orbitals of the united atom have been extended sufRciently that all of the necessary correlation lines can be drawn. The energetic spacing of the AOs is purely schematic, their order on the left being that common to silicon and sulfur, the united atoms corresponding to N2 and O2. The abcissa, is - of course - quite non-linear. 

FIGURE 13.16 Correlation diagram for homonuclear diatomic MOs. (This diagram does not hold for HJ.) The dashed vertical line corresponds to the order in which the MOs fill. 

The chart that shows these energies as a function of R is one example of a condation diagram. A schematic correlation diagram for homonuclear diatomics is shown in Fig. 7.2. A correlation diagram is a common tool in physics to help describe some complicated system by positioning it between two relatively simple limits. 

FIGURE 7.2 Schematic correlation diagram for the homonuclear diatomics. 

According to our correlation diagram for homonuclear diatomics, the 1tt MO in N2 is more stable than the 3(T MO. If this is rigorously true, the dication would have two TT-bonds, but no cr-bond. Only one of the following statements can be true ... 

For the homonuclear diatomic molecule Be2, give the MO configuration and bond order for the ground state and first excited state, based on the correlation diagram as the values of R approach (a) the separated atom limit and... 

Homonuclear diatomics of heavier elements tend to lie closer to the separated atom limit of the correlation diagram (Fig. 7.2). Based on the dashed line representing O2 in this figure, what neutral, homonuclear, diatomic molecule would be the first to have a filled 8 molecular orbital in its groimd state, and how many electrons does it have ... 

The Ne2 molecule dissociates at room temperature. Using the correlation diagram for homonuclear diatomics... 

Draw only the left-hand side of the correlation diagram for homonuclear diatomics corresponding to the = 5 united atom atomic orbitals, identifying the appropriate MO representations. 

Figure 7-17 Correlation diagram between separated-atom orbitals and united-atom orbitals for homonuclear diatomic molecules. Energy ordinate and intemuclear separation abscissa are only suggestive. No absolute values are implied by the sketch. [Note For hJ rjg2p correlates with SdcTg, cTgSs with 3soTg. This arises because the separability of the hJ hamiltonian (in the Born-Oppenheimer approximation) leads to an additional quantum number for this molecule. In essence, the hJ wavefunction in elliptical coordinates may be written jr = L X)M (/x), The function L...

In a homonuclear diatomic correlation diagram, what MO symmetry symbols (a, 7T, 5, g, u) could correlate with each of the united atom AOs listed below Assume z to be the old internuclear axis. Indicate for each case whether this united atom orbital is the terminus for a bonding or an antibonding MO. (a) 2p ... 

Consider the correlation diagram for homonuclear diatomic molecules (Fig. 1.10), constructed in the same way as that for Hj. The significance of the non-crossing rule becomes apparent when we consider the details of this diagram. In terms of symmetry the Og 2s molecular orbital could correlate with either the 2s- or the 3s-orbital of the united atom. Similarly the Og 2p molecular orbital could correlate with either the 2s or the 3s united atom orbital. As a consequence of the non-crossing rule, the correlation of the... 

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