A CYCLOADDITION MODEL FOR FULLERENE FORMATION

Citation
Dl. Strout et Ge. Scuseria, A CYCLOADDITION MODEL FOR FULLERENE FORMATION, Journal of physical chemistry, 100(16), 1996, pp. 6492-6498
Citations number
22
Categorie Soggetti
Chemistry Physical
ISSN journal
00223654
Volume
100
Issue
16
Year of publication
1996
Pages
6492 - 6498
Database
ISI
SICI code
0022-3654(1996)100:16<6492:ACMFFF>2.0.ZU;2-Q
Abstract
Since their discovery, the fullerenes have challenged scientists with a wide array of problems concerning their properties, behavior, and po tential applications. One such fundamental question is that of the ass embly of these carbon cages. Much effort has been directed at obtainin g an understanding of the process whereby graphite is transformed into fullerenes. In a previous work, we introduced a novel interpretation of the ion chromatography results from fullerene generation experiment s. In this work, that interpretation is expanded and ab initio calcula tions are performed to illustrate how the model explains the experimen tal results. This ''cycloaddition model'' is then used to develop a pl ausible fullerene assembly mechanism.