NBO Analysis



Hello CCLers!
 I have done a NBO analysis of a transition structure were a sigma bond is
 being broken. The problem arises when check the orbital structure, there
 is still a pi bond where the sigma bond is already broken. Could it mean
 there is a certain aromaticity in that TS and pi electrons are still
 creating a "current" despite of the big bond distances. Is there any
 other
 point of view (with chemistry sense, not mathematical formulation of
 anything non graspable)?
 Thanks
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    Carlos Silva López
  Dpto. Química Orgánica
   Universidade de Vigo
 Phone num: 0034 986812226
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