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The Hall rule in fluoranthene-type benzenoid hydrocarbons

Đurđević Jelena (Prirodno-matematički fakultet, Kragujevac)
Radenković Slavko (Prirodno-matematički fakultet, Kragujevac)
Gutman Ivan (Prirodno-matematički fakultet, Kragujevac)

The applicability of the Hall rule (linear relation between the total π-electron energy and the number of Kekulé structures) was investigated in the case of fluoranthene-type benzenoid hydrocarbons. It was found that the originnal Hall rule is not obeyed, but holds for sets of isomers with a fixed number of bay regions. For such groups of isomers, two apparently contradictory Hall-type rules were conceived, and it was found that both give almost identical numerical results.

Keywords: Hall rule, total π-electron energy, Kekulé structures, fluoranthene, benzenoid hydrocarbons, fluoranthene-type hydrocarbons