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The delocalization energy as the difference between the total energy of the π electrons and the energies of the individual π bonds: an electron in one π bond has the energy of α+β.
MO theory and Resonance
- in MO theory, the entire molecule is treated as one entity, and all of the electrons in the entire molecule occupy regions of space called molecular orbitals.
- Two electrons are placed in each orbital, starting with the lowest energy orbital, until all electrons occupy orbitals.
- According to MO theory, the three p orbitals no longer exist. Instead, they have been replaced by three MOs, in order of increasing energy. Notice that the lowest energy MO, called the bonding molecular orbital, has no vertical nodes. The next higher energy MO, called the nonbonding molecular orbital, has one vertical node. The highest energy MO, called the antibonding molecular orbital, has two vertical nodes.
- The π electrons of the allyl system will fill these MOs, starting with the lowest energy MO.The allyl carbocation has only two π electrons, rather than three, because one of the carbon atoms bears a positive formal charge indicating that one electron is missing. The two π electrons of the allyl system will occupy the lowest energy MO (the bonding MO). If the missing electron were to return, it would occupy the next higher energy MO, which is the nonbonding MO. Focus your attention on the nonbonding MO.
There should be an electron occupying this nonbonding MO, but the electron is missing. Therefore, the colored lobes are empty and represent regions of space that are electron deficient. In conclusion, MO theory suggests that the positive charge of the allyl carbocation is associated with the two ends of the system, rather than just one end.
To know more about Resonance :-
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