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 | | Electronic effects due to the substitution are found not to increase significantly, and often to decrease, the calculated coupling, since they involve mainly p orbitals, while the coupling is mainly transmitted through s orbitals. |
 | | It is useful, at this point, to recall some qualitative considerations on the effect of substituents on the energetics of the CH/p dimers [5]. |
 | | However, we should recall that the FC contribution is transmitted by s-type orbitals, since it requires the probability, and therefore the wave function of the electron, to be non-zero at the nucleus. |
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