Monoarsacyclacenes-PM3 treatment

Date

2000-03-01

Author

Türker, Burhan Lemi

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Monoarsacyclacenes of P- and F-types having 3 similar to 8 arenoid rings were considered for PM3 type semiempirical molecular orbital calculations. These, yet nonexistent structures, were expected to be endothermic but stable molecules exhibiting no cryptoannulenic effect.

Subject Keywords

Surgery

URI

https://hdl.handle.net/11511/62401

Journal

RARE METALS

DOI

https://doi.org/10.1007/s004640000274

Collections

Department of Chemistry, Article

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AM1 treatment of Huckel type cyclacenes Türker, Burhan Lemi (1997-05-30) Semiempirical molecular orbital calculations at the level of AM1 type were carried out on Huckel type cyclacenes having arenoid rings (R) of 2-10. It has been found that the cryptoannulenic effect highly influences the molecular orbital characteristics of these systems. (C) 1997 Elsevier Science B.V.
Hexahydro-1,3,5-trinitro-1,3,5-triazine-embedded cyclophanes Türker, Burhan Lemi (2000-09-18) Semiempirical molecular orbital calculations at the level of AM1 type were performed on hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) and certain RDX-embedded cyclophane derivatives. It has been found that through-space interaction between the RDX and phane moieties play an important role in the various molecular orbital properties of the systems considered.
AM1 treatment of monosilacyclacenes Türker, Burhan Lemi (Informa UK Limited, 1997-01-01) Semi-empirical molecular orbital calculations at the level of AM1 type have been performed on Huckel type monosilacyclacenes having arenoid rings (R) of 2-7. Silicon atom at the peri and fusion points of arenoid rings were separately considered for each case of R.
Cyclacenes having mono boron or nitrogen atom in the backbone - a theoretical study Türker, Burhan Lemi; Gumus, S (Elsevier BV, 2004-04-09) 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.

Citation Formats

B. L. Türker, “Monoarsacyclacenes-PM3 treatment,” RARE METALS, pp. 53–58, 2000, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/62401.