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1,4-didecapentaene-substituted cyclacenes - AM1 treatment

2002-07-05
Türker, Burhan Lemi
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This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.
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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.
Cyclacenes, Polyenes, Cryptoannulenic effect, Substituted cyclacenes, Conjugated systems
https://hdl.handle.net/11511/62287

Department of Chemistry, Article
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