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STRUCTURAL AND ELECTRONIC PROPERTIES OF AlP DOPED HÜCKEL TYPE CYCLACENE WITH FOUR BENZENOID RINGS

Author

Listed:
  • ŞAKİR ERKOÇ

    (Department of Physics, Middle East Technical University, 06531 Ankara, Turkey)

  • OSMAN BARIŞ MALCIOĞLU

    (Department of Physics, Middle East Technical University, 06531 Ankara, Turkey)

Abstract

Cyclacene of the Hückel type having four benzenoid rings have been subjected to centric perturbations along both peripheral circuits such that Al and P atoms are alternatingly located. The present structure of perturbed cyclacene let two types of isomeric compounds to arise such that in one case the peri-positions and fusion-points occupied by Al and P atoms, respectively and in the other case reversal of occupation of locations occur. For these structures, AM1-RHF type semi-empirical calculations have been carried out and the systems are analyzed from various energetic points of view.

Suggested Citation

  • Şaki̇r Erkoç & Osman Bariş Malcioğlu, 2003. "STRUCTURAL AND ELECTRONIC PROPERTIES OF AlP DOPED HÜCKEL TYPE CYCLACENE WITH FOUR BENZENOID RINGS," International Journal of Modern Physics C (IJMPC), World Scientific Publishing Co. Pte. Ltd., vol. 14(09), pages 1183-1189.
    • Handle: RePEc:wsi:ijmpcx:v:14:y:2003:i:09:n:s0129183103005339
    DOI: 10.1142/S0129183103005339
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