Stability order of isomeric benzenoid hydrocarbons and Kekulé structure count
Radenković Slavko, Gutman Ivan
Journal of the Serbian Chemical Society · 2009
doi:10.2298/jsc0902155r (opens in a new tab)
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Abstract
The commonly accepted opinion that the thermodynamic stability of isomeric benzenoid hydrocarbons (assessed by their total ?-electron energy and various resonance energies) increases with increasing number of Kekul? structures is shown to be violated in numerous cases. The smallest examples of such anomalous behavior are two hexacyclic pericondensed benzenoids of formula C24H14 and several pairs of heptacyclic catacondensed benzenoids of formula C30H18.
Abstract licence: CC BY-NC-ND
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