Molecular orbital diagrams carbonate

Figure 6-12. Schematic molecular orbital diagram for carbon monoxide.

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... 

Fig. 520 Enragy level diagram for the molecular orbitals of carbon monoxide. Note that Upon bond Formation electrons occtjjy obitals that are more oxygen-likc than carbon-like. Note carefuBy the bond order The Icr and 3 r MOs arc essentially nonbonding. The bond order, as in the N-. molecule is three.

Considering the molecular orbital diagram of carbon monoxide (Fig. 5.201 and the discussion concerning hybridization and energy (pages 225-227). predict which end of the carbon monoxide molecule will be the more basic (i.e., will donate electrons more readily and form the stronger, direct covalent bond)... 

Before leaving the carbonates, we should note that carbon in four coordination with oxygen is observed in inorganic compounds and has been studied quantum mechanically. Tossell (1976b) calculated a molecular-orbital diagram for for a range of distances the results showed... 

Figure 3. Molecular orbital diagram of a tetrahedral carbon compound (schematic)...

Your molecular orbital diagram should look like figure 2.18 which shows the MO diagram for Period 2 homonuclear diatomic molecules from Li2 to N2. Each carbon atom has four valence electrons, thus a total of 8 electrons has to be placed in the molecular orbitals on the diagram. Keep in mind that you still follow the Hund s rule and the Pauling exclusion principle when filling molecular orbitals with electrons. See the solution for E2.22... 

The allyl radical has two electrons in the bonding tt molecular orbital, so these electrons are spread over all three carbon atoms. The third electron is in the nonbonding MO. The molecular orbital diagram shows that the third electron is shared equally by the end carbons, with none of the electron density on the middle carbon. This is in agreement with what the resonance contributors show Only the end carbons have radical character. 

Electron delocalization also causes a conjugated diene to be more stable than an isolated diene. The tt electrons in each of the double bonds of an isolated diene are localized between two carbons. In contrast, the rr electrons in a conjugated diene are delocalized. As you discovered in Section 7.6, electron delocalization stabilizes a molecule. Both the resonance hybrid and the molecular orbital diagram of 1,3-butadiene in Figure 7.9 show that the single bond in 1,3-butadiene is not a pure single bond, but has partial double-bond character as a result of electron delocalization. 

Figure 13. Molecular orbital diagram of the mixing process involved In the Insertion of olefin into a metal-carbon bond. Orbital occupations are shown for the formal d° configuration on the metal. ...

As illustrated in Figure 1.6, the following points need to be considered while constructing the molecular orbital diagram of a conjugated open-chain system having an odd number of carbon atoms. 

Keywords Asymmetric Backbonding Bent Bond order Bridging carbonyl Carbon monoxide Computation Isocarbonyl Linear Metal-metal bond Metal-metal antibond Molecular orbital diagram Symmetric Theoretical... 

A molecular orbital diagram for ethylene at the Hiickel level. An isolated p orbital has an energy of a, and the interaction energy for an adjacent carbon p orbital is 3. 

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