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Fused five-membered rings determine the stability of [C.sub.60][F.sub.60]

Authors :
Jianfeng Jia
Hai-Shun Wu
Xiao-Hong Xu
Xian-Ming Zhang
Haijun Jiao
Source :
Journal of the American Chemical Society. March 26, 2008, Vol. 130 Issue 12, p3985, 4 p.
Publication Year :
2008

Abstract

Density functional theory is used for studying the structure and stability of a set of [(CF).sub.60] isomers. The relative energy per CF unit of the most stable isomer to graphite fluoride [(CF).sub.n] is 3.7 kcal/mol, which is smaller than that of [C.sub.60] fullerene per carbon to graphite.

Details

Language :
English
ISSN :
00027863
Volume :
130
Issue :
12
Database :
Gale General OneFile
Journal :
Journal of the American Chemical Society
Publication Type :
Academic Journal
Accession number :
edsgcl.178108206