The effect of para-cyclophane structure on cyclacenes

Date

2000-02-01

Author

Türker, Burhan Lemi

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Semiempirical molecular orbital treatment at the level of AMI type has been performed on the Huckel type cyclacenes having the normal and the skew type para-cyclophane moiety embedded into their structures. The cyclophane effect is found to be operative on the lower members by veiling the cryptoannulenic effect which is influential on the heats of formation values and the frontier molecular orbital energies of the higher members as well as the parent cyclacenes.

Subject Keywords

Cyclacenes, Cyclophanes, Cryptoannulenic effect, AM1 calculations

URI

https://hdl.handle.net/11511/62272

Journal

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

DOI

https://doi.org/10.1016/s0166-1280(99)00194-3

Collections

Department of Chemistry, Article

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Citation Formats

B. L. Türker, “The effect of para-cyclophane structure on cyclacenes,” JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, pp. 11–17, 2000, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/62272.