AM1 treatment of some dinitro derivatives of [2(2)](1,4)-cyclophane

Date

2004-07-05

Author

Türker, Burhan Lemi

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Semiempirical molecular orbital treatment at the level of AMI(RHF) approach has been performed on [2(2)](1,4)-cyclophanes (paracyclophane derivatives) having two nitro substituents at different positions (the bridge positions and phane-deck(s)). All the isomeric structures presently studied are found to be stable but endothermic.

Subject Keywords

Physical and Theoretical Chemistry, Biochemistry, Condensed Matter Physics

URI

https://hdl.handle.net/11511/62381

Journal

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

DOI

https://doi.org/10.1016/j.theochem.2004.03.041

Collections

Department of Chemistry, Article

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Citation Formats

B. L. Türker, “AM1 treatment of some dinitro derivatives of [2(2)](1,4)-cyclophane,” JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, pp. 33–36, 2004, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/62381.