Can substituted cyclopentadiene become aromatic or antiaromatic?

  title={Can substituted cyclopentadiene become aromatic or antiaromatic?},
  author={Amnon Stanger},
  volume={12 10},
Cyclopentadiene derivatives with electronegative (F, Cl) or electropositive (H(3)Si, Me(3)Si) bis-5,5-substituents were studied at the B3LYP/6-311G* level of theory. It was found that there is no special stabilization or destabilization for any of the derivatives; the energetic effects that were previously attributed to aromatic stabilization or antiaromatic destabilization are the result of interactions in the reference systems. A nucleus-independent chemical shift (NICS) scan study at the HF… CONTINUE READING