Conference item
The isomer problem for fullerene derivatives: Structural proposals for C70H36
- Abstract:
-
Calculations are performed on the optimal structures and relative stabilities of the experimentally identified but as yet uncharacterized C70H36 molecule. A model in which addition preserves nominal aromaticity is tested against semi-empirical MNDO calculations and found to be inadequate: large aromatic regions on the surface of the C70 cage would demand planarity and, hence, imply large steric strain. A structure with isolated double bonds in the polar caps and conjugation in a cyclopentaphe...
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- Publication status:
- Published
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- Publisher copy:
- 10.1016/0379-6779(96)80067-1
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Bibliographic Details
- Volume:
- 77
- Issue:
- 1-3
- Pages:
- 97-101
- Host title:
- SYNTHETIC METALS
- Publication date:
- 1996-02-01
- DOI:
- ISSN:
-
0379-6779
- Source identifiers:
-
45172
Item Description
Terms of use
- Copyright date:
- 1996
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