Thursday, August 11, 2011
Molecular orbital question, please help! (organic chem)?
The sigma* antibonding orbital has electron density mostly " outside" the H-H pair. Therefore the lowering in electrostatic energy found in the bonding case (this latter is more than the increased energy through more localisation (see later) , the grand sum being a lowering of 104 kcal/mol) is not there. Also, in the H1s orbital the electron is able to de-localize spherically symmetrical. If the 1s electron would be forced to localize more on one side of the proton, this lost delocalisation possibility would raise the energy also. (The uncertainty in location, Delta x, would be less because we "know it is more on the right" and Heisenberg's indeterminacy principle shows that Delta p (and hence the kinetic energy) would be raised.
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