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Relationship between resonance energy per pi-electron and carcinogenicity in arenes
T Kurihara1, N Motohashi, A Shimizu
1Department of Chemistry, Faculty of Science, Josai University, Saitama, Japan.
Anticancer Research
|March 1, 1996
Abstract:
The resonance energy per pi-electron of various arenes was calculated using Aihara's TRE theory. There seemed to be a correlation between the resonance energy volume per pi-electron of the cation species (lacking a carbon atom) with the highest approximate superdelocalizability (Sr'(E)) from the parent skeleton and carcinogenicity, i.e. the induction of cancer by arenes (three-ring, four-ring, five-ring, six-ring and seven-ring) seems to be dependent on the resonance energy per pi-electron in they contain).