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Synthesis, structural investigation, and theoretical study of pentaf luoroethyl derivatives of [60]fullerene

โœ Scribed by N. B. Tamm; S. M. Avdoshenko; E. Kemnitz; S. I. Troyanov

Publisher
Springer
Year
2007
Tongue
English
Weight
487 KB
Volume
56
Category
Article
ISSN
1573-9171

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Semi-empirical, ab initio Hartrce-Fock, and density functional studies (including gradient corrections) on the structures and stabilities of C,O and C&H2 are reported. Two low-energy isomers are found for both compounds which are roughly comparable in energy. These are obtained by bridging across th