A selective isomer growth of fullerenes
β Scribed by T. Wakabayashi; H. Shiromaru; K. Kikuchi; Y. Achiba
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 443 KB
- Volume
- 201
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
We propose a new fullerene growth model with a novel picture for selective isomer formation of higher fullerenes. The model described supposes that the fullerene intermediates, consisting of a 5-and &membered ring network (a cap-like structure), undergo a facile interconversion by a "pentagon migration" transformation. This energy stabilization process dramatically reduces the possible candidates of isomers with fullerene cages. The model also predicts the preferential formation of two specific isomers, D2( 5 )-and Dzd(23)Cs4 with a fraction ratio of 2: 1. This conclusion is in contrast to the recent theoreticai prediction that the D2( 22) isomer with a different fuller&e cage is more stable than the D2( 5 )-Cs+
π SIMILAR VOLUMES
Semiempirical and ab initio SCF calculations are reported for the Cs, fidkenms with isolated pentagons. The optimized geometries and relative stabilities are discussed. All methods applied predict two nearly isoenergetic structures with Ds and DZd symmetry to be the most stable of the 24 isomers con
Semi-empirical and ab initio calculations are reported for the five Crs fullerenes with isolated pentagons. The optimized geometries and relative stabilities are discussed. The D3s structure previously favored on the basis of simple Hilckel arguments is found to be the least stable isomer at all the