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Cycloparaphenylene (CPP) series are molecular models for graphene armchair edges: trends in their aromaticity and cyclic conjugation are evaluated
Authors:Jerry Ray Dias
Institution:1. Department of Chemistry, University of Missouri, Kansas City, MO, USA diasj@umkc.edu
Abstract:Cycloparaphenylene (r]CPP) and cyclacene (r]CA) series are models for short carbon nanotubes. It is shown that armchair edges in model cycloparaphenylenes possess greater aromaticity and cyclic conjugation than do zigzag edges in model cyclacenes. According to Aihara’s bond resonance energy (BRE) and Bosanac and Gutman energy effect (ef) measurements, cycloparaphenylenes are twice as aromatic as cyclacenes. The general solution of all eigenvalues of all members of the cycloparaphenylene series is given. The origin of the recurrence of some eigenvalues are determined.
Keywords:Conjugation  short nanotubes  strongly subspectral  polyphenylenes  macrocyclic conjugation and aromaticity/antiaromaticity
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