Unification of some literature models of aromaticity: calculational and conceptual study of a set of one-ring species.
Numerous models have been suggested for the important concept of aromaticity. In the current study, a set of recently suggested models of aromaticity/homoaromaticity/anti-aromaticity for one-ring species [e.g. pyridazine, oxazole, tropilidene (cycloheptatriene), 1,4-dithiin, [8]-annulene (cyclooctatetraene)] is shown to have a common mathematical framework from which a new, unifying quantitative equation has been derived. Calculational and conceptual application is made to a well defined set of one-ring carbocycles.
Department of Chemistry (IMR), University of Tromsø, Norway.
A
A
Skancke
R S
RS
Hosmane
J F
JF
Liebman
D008956:Models, Chemical; D011084:Polycyclic Aromatic Hydrocarbons / Q000737:chemistry / Q000494:pharmacology*; D013816:Thermodynamics
D011084:Polycyclic Aromatic Hydrocarbons