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  Frontier Molecular Orbital Thoery   6 Nickels awarded!
Tagged with:    [Post New]posted on 30 Apr 2007 22:47:40 IST    
Frontier Molecular Orbital theoryApart from electrostatic interactions, the overlap between orbitals may favour the reaction between an electron donor and an electron acceptor. A high (in energy) lying occupied orbital in the donor may overlap with a low lying empty one in the acceptor, leading to a net stabilization.
The strength of the interaction is determined by:
  • the energy difference between the two orbitals involved (the smaller the better).
  • the amount of overlap between the orbitals (the larger the better).
These effects can account for the subtle differences that are found in facial selectivity, caused by
  • steric effects which hinder overlap, or by
  • asymmetry of a pi orbital, which favours overlap on that side where the orbital is larger.
Example: Diels-Alder reaction of fluorocyclopentadiene, which takes place on the side where the F resides. Sterically the other side would be preferred, so an electronic effect must play a role. We can investigate the orbital concerned, the HOMO of fluorocyclopentadiene, and other cyclopentadienes.
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ritu_007
ritu_007 is offline comment by ritu_007    (posted on 1 May 2007 01:04:06 IST)
cool yaar.accept a salute.
uday_zingtudor
uday_zingtudor is offline comment by uday_zingtudor    (posted on 2 May 2007 00:25:17 IST)
pls make use of this frenz
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