Enumeration of conjugated circuits in graphite

According to Zhu et al. (1994) the resonance energy/electron (REPE) in infinite graphite sheets is equal to 0.17 eV. In the present work the REPE was calculated for parallelogram-shaped graphite sheets (PSGSs). The number of benzene-like and naphthalene-like conjugated circuits were taken into accou...

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Bibliographic Details
Published in2004 International Semiconductor Conference. CAS 2004 Proceedings (IEEE Cat. No.04TH8748) Vol. 1; pp. 67 - 70
Main Authors Lukovits, I., Diudea, M., Kalman, E.
Format Conference Proceeding
LanguageEnglish
Published Piscataway NJ IEEE 2004
Subjects
Applied sciences
Atomic measurements
Carbon capture and storage
Chemicals
Circuit stability
Convergence
Electronics
Electrons
Energy measurement
Exact sciences and technology
Lattices
Materials
Resonance
RLC circuits
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Summary:According to Zhu et al. (1994) the resonance energy/electron (REPE) in infinite graphite sheets is equal to 0.17 eV. In the present work the REPE was calculated for parallelogram-shaped graphite sheets (PSGSs). The number of benzene-like and naphthalene-like conjugated circuits were taken into account. Analogously to polyacenes, it was found that REPE = 0.00 eV in PSGSs. The convergence is slow. These results indicate that PSGS is less "aromatic" than its infinite counterpart. Therefore addition reactions are expected to be less difficult to carry out in PSGSs than in infinite or rectangular graphite sheets.
ISBN:9780780384996
0780384997
DOI:10.1109/SMICND.2004.1402804