Cycled-fused-borazines - MNDO and AMI treatments

Date

2003-11-17

Author

Türker, Burhan Lemi

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The Huckel type cycled-fused-borazines which are analogous to cyclacenes are considered for the semiempirical molecular orbital treatment at the level of MNDO and AMI type calculations. The structures having 3-10 arenoid rings (R) are considered. It has been found that they should be thermally stable and exogenic. Moreover, these properties get more and more as R increases. The systems exhibit no cryptoannulenic effect on any of the properties presently studied, showing that the peripheral circuits, unlike the ones in cyclacenes, are not influential.

Subject Keywords

Physical and Theoretical Chemistry, Biochemistry, Condensed Matter Physics

URI

https://hdl.handle.net/11511/62262

Journal

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

DOI

https://doi.org/10.1016/j.theochem.2003.08.060

Collections

Department of Chemistry, Article

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Türker, Burhan Lemi (Elsevier BV, 2004-07-26)

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Citation Formats

B. L. Türker, “Cycled-fused-borazines - MNDO and AMI treatments,” JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, pp. 63–67, 2003, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/62262.