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The effect of boron substitution on cyclacenes
Date
2001-01-15
Author
Türker, Burhan Lemi
Azizoglu, A
Metadata
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This work is licensed under a
Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License
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AM1-type semiempirical molecular orbital treatment was performed on the Huckel-type cyclacenes having certain number of boron atoms at the peri-positions and at the fusion sites of the arenoid rings. The effect of boron atoms is generally destabilizing in all the cases as compared to their unsubstituted cyclacene counterparts. The AM1 results revealed that certain properties of the boron-substituted cyclacenes are affected not only by the number of arenoid rings they have but also by the nature of their peripheral circuits.
Subject Keywords
Substituted cyclacenes
,
AM1 calculations
,
Cyclacenes
,
Boron compounds
,
Boron
URI
https://hdl.handle.net/11511/62409
Journal
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
DOI
https://doi.org/10.1016/s0166-1280(00)00589-3
Collections
Department of Chemistry, Article