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A bucky onion from C-20 and C-60 - an AM1 treatment
Date
2001-07-09
Author
Türker, Burhan Lemi
Metadata
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This work is licensed under a
Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License
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A bucky onion-like composite system of C-20 in C-60 Structure was subjected to semiempirical quantum chemical treatment at the level of AMI-REF type calculations. The composite system was found to be a highly endothermic but stable structure. Strong 'through-space' type interaction between C-20 and C-60 shells should exist resulting a dipole moment originating from C-60 shell to C-20 shell. Thus, the composite system should have anisotropic polarizability. (C) 2001 Elsevier Science BN. All rights reserved.
Subject Keywords
Bucky onions
,
Fullerenes
,
C-20
,
C-60
,
AM1 treatment
URI
https://hdl.handle.net/11511/62293
Journal
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
DOI
https://doi.org/10.1016/s0166-1280(01)00421-3
Collections
Department of Chemistry, Article