Cycloaddition model for fullerene formation

Journal Article · Thu Apr 18 00:00:00 EDT 1996 · Journal of Physical Chemistry

DOI:https://doi.org/10.1021/jp9530212· OSTI ID:263154

Strout, D L; Scuseria, G E ^[1]

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1. Rice Univ., Houston, TX (United States)

Since their discovery, the fullerenes have challenged scientists with a wide array of problems concerning their properties, behavior, and potential applications. One such fundamental question is that of the assembly of these carbon cages. Much effort has been directed at obtaining 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 experiments. In this work, that interpretation is expanded and ab initio calculations are performed to illustrate how the model explains the experimental results. This `cycloaddition model` is then used to develop a plausible fullerene assembly mechanism. 19 refs., 12 figs., 10 tabs.

• OSTI ID: 263154
• Journal Information: Journal of Physical Chemistry, Vol. 100, Issue 16; Other Information: PBD: 18 Apr 1996
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
40 CHEMISTRY
FULLERENES
SYNTHESIS
THEORETICAL DATA
MOLECULAR MODELS
CALCULATION METHODS
GRAPHITE
CHEMICAL REACTIONS
PHYSICAL CHEMISTRY