Topological Resonance Energies: a Caveat
Australian Journal of Chemistry
44(2) 297 - 302
Even hydrocarbon Lewis structures which must have two non-bonding electrons are examined. Such structures are shown to have surprisingly large topological resonance energies. Three theorems are presented which permit the general conclusion that the propensity for topological resonance energies to lead to 'obviously false chemical conclusions' originates with the 'π-energies' produced from the matching polynomials for even hydrocarbons with non-bonding electrons.
© CSIRO 1991