STRUCTURES AND STABILITIES OF HYDROFULLERENES - COMPLETION OF CROWN STRUCTURES AT C60H18 AND C60H24

Citation
Bw. Clare et Dl. Kepert, STRUCTURES AND STABILITIES OF HYDROFULLERENES - COMPLETION OF CROWN STRUCTURES AT C60H18 AND C60H24, Journal of molecular structure. Theochem, 109, 1994, pp. 1-9
Citations number
10
Categorie Soggetti
Chemistry Physical
ISSN journal
01661280
Volume
109
Year of publication
1994
Pages
1 - 9
Database
ISI
SICI code
0166-1280(1994)109:<1:SASOH->2.0.ZU;2-E
Abstract
The calculation of the stabilities of different isomers of C60Hn has b een extended from n = 12 to n = 24. Each structure in a first series o f molecules was obtained by addition of a pair of hydrogen atoms onto the most stable structure for C60Hn-2. This series culminates in C60H2 4, consisting of a crown composed of 18 linked CH groups plus three CH -CH groups remaining from the original C60H12 structure. A second seri es of structures was similarly obtained based on C60H18, in which all hydrogen atoms are part of the C18H18 crown. The most stable molecules are C60H12 (first series) and C60H22 (second series).