Mono, B, N, Si, or Ge substituted cyclacenes. A theoretical study

Date

2004-06-30

Author

Türker, Burhan Lemi
Gumus, S

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AM1 type semi-empirical (RHF) calculations are used for investigation of the structural and electronic properties of boron, nitrogen, silicon and germanium embedded cyclacenes. All structures are found to be stable but endothermic. While nitrogen substitution has stabilizing effect on the parent cyclacene, boron, silicon or germanium destabilize the parent structure.

Subject Keywords

Physical and Theoretical Chemistry, Biochemistry, Condensed Matter Physics

URI

https://hdl.handle.net/11511/62436

Journal

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

DOI

https://doi.org/10.1016/j.theochem.2004.03.023

Collections

Department of Chemistry, Article

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Citation Formats

B. L. Türker and S. Gumus, “Mono, B, N, Si, or Ge substituted cyclacenes. A theoretical study,” JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, pp. 143–147, 2004, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/62436.