Structural and electronic properties of borazine cyclacenes

Date

2001-05-04

Author

Erkoç, Şakir

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The structural and electronic properties of borazine cyclacenes (BNn) have been investigated by performing semiempirical molecular orbital self-consistent field calculations at the level of AM1 method within the RHF formulation. It has been found that as the number of borazine rings increases in the arenoid belt the structures become more exothermic.

Subject Keywords

Borazine, Cyclacenes, AM1 method

URI

https://hdl.handle.net/11511/56370

Journal

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

DOI

https://doi.org/10.1016/s0166-1280(00)00735-1

Collections

Department of Physics, Article

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Citation Formats

Ş. Erkoç, “Structural and electronic properties of borazine cyclacenes,” JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, pp. 153–156, 2001, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/56370.