1,4-didecapentaene-substituted cyclacenes - AM1 treatment

Date

2002-07-05

Author

Türker, Burhan Lemi

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Austin model I type semi-empirical calculations are performed to calculate various energies and to get some molecular orbital properties of the 1,4-didecapentaene-substituted cyclacenes having 3-8 benzenoid rings. The systems considered should be stable, endothermic and possibly have some non-linear properties.

Subject Keywords

Cyclacenes, Polyenes, Cryptoannulenic effect, Substituted cyclacenes, Conjugated systems

URI

https://hdl.handle.net/11511/62287

Journal

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

DOI

https://doi.org/10.1016/s0166-1280(02)00110-0

Collections

Department of Chemistry, Article

Citation Formats

B. L. Türker, “1,4-didecapentaene-substituted cyclacenes - AM1 treatment,” JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol. 587, pp. 19–23, 2002, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/62287.