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 The resonance structures in the VB model

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jancancook




Posts : 159
Join date : 2011-02-23

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PostSubject: The resonance structures in the VB model    The resonance structures in the VB model  Icon_minitimeMon Nov 07, 2011 5:06 am

The resonance structures in the VB model are particularly useful in predicting the effect of substituents on π systems such as benzene. They lead to the models of resonance structures for an electron-withdrawing group and electron-releasing group on benzene. The utility of MO theory is that a quantitative indication of the charge from the π system on an atom can be obtained from the squares of the weighting coefficient ci on atom Ci. Charge qi ≈ ci2. The reason for squaring the coefficient is that if an electron is described by an AO, then the square of the AO gives the electron density. The AOs are adjusted (normalized) so that AO2 =1, and qi ≈ (ciAOi)2 ≈ ci2. In benzene, qi = 1 on each C atom. With an electron-withdrawing group qi < 1 on the ortho and para C atoms and > 1 for an electron-releasing group.



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