Structural and electronic properties of AlP doped Huckel type cyclacene with four benzenoid rings

Date

2003-11-01

Author

Erkoc, S
Malcıoğlu, Osman Barış

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Cyclacene of the Huckel 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.

Subject Keywords

Mathematical Physics, Computational Theory and Mathematics, General Physics and Astronomy, Statistical and Nonlinear Physics, Computer Science Applications

URI

https://hdl.handle.net/11511/48063

Journal

INTERNATIONAL JOURNAL OF MODERN PHYSICS C

DOI

https://doi.org/10.1142/s0129183103005339

Collections

Department of Physics, Article

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Citation Formats

S. Erkoc and O. B. Malcıoğlu, “Structural and electronic properties of AlP doped Huckel type cyclacene with four benzenoid rings,” INTERNATIONAL JOURNAL OF MODERN PHYSICS C, pp. 1183–1189, 2003, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/48063.