Cyclacenes having mono boron or nitrogen atom in the backbone - a theoretical study

Date

2004-04-09

Author

Türker, Burhan Lemi
Gumus, S

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Semi-empirical molecular orbital treatment at the level of AMI unrestricted Hartree-Fock type calculations was performed on the Huckel type boron and nitrogen substituted cyclacenes. Substitution is done either in a peri position or a fusion points. Boron substitution is found to be destabilizing. whereas nitrogen substitution has stabilizing effect on parent cyclacenes.

Subject Keywords

Physical and Theoretical Chemistry, Biochemistry, Condensed Matter Physics

URI

https://hdl.handle.net/11511/62666

Journal

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

DOI

https://doi.org/10.1016/j.theochem.2003.11.040

Collections

Department of Chemistry, Article

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Citation Formats

B. L. Türker and S. Gumus, “Cyclacenes having mono boron or nitrogen atom in the backbone - a theoretical study,” JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, pp. 185–189, 2004, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/62666.