Peripherally B and N substituted cyclacenes

Date

2004-10-25

Author

Türker, Burhan Lemi
Gumus, S

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AM1 (RHF) type semiempirical quantum chemical calculations have been applied to cyclacenes whose fusion points and peri positions of one of their peripheral circuits are substituted with nitrogen and boron, respectively. The structures have been found to be stable but endothermic (except for R = 8 and 9) in nature. The nitrogen and boron (the fusion points peri positions, respectively,) substitution have been found to have stabilizing effect on the parent unsubstituted cyclacenes. Some geometrical and physicochemical data are also reported.

Subject Keywords

Physical and Theoretical Chemistry, Biochemistry, Condensed Matter Physics

URI

https://hdl.handle.net/11511/62455

Journal

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

DOI

https://doi.org/10.1016/j.theochem.2004.08.015

Collections

Department of Chemistry, Article

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Citation Formats

B. L. Türker and S. Gumus, “Peripherally B and N substituted cyclacenes,” JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, pp. 91–95, 2004, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/62455.