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Cyclacenes having mono boron or nitrogen atom in the backbone - a theoretical study
Date
2004-04-09
Author
Türker, Burhan Lemi
Gumus, S
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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.
Subject Keywords
Physical and Theoretical Chemistry
,
Biochemistry
,
Condensed Matter Physics
URI
https://hdl.handle.net/11511/62666
Journal
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
DOI
https://doi.org/10.1016/j.theochem.2003.11.040
Collections
Department of Chemistry, Article
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B. L. Türker and S. Gumus, “Cyclacenes having mono boron or nitrogen atom in the backbone - a theoretical study,”
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
, pp. 185–189, 2004, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/62666.