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JOURNALS // Pis'ma v Zhurnal Èksperimental'noi i Teoreticheskoi Fiziki // Archive

Pis'ma v Zh. Èksper. Teoret. Fiz., 2004 Volume 79, Issue 3, Pages 153–157 (Mi jetpl2223)

This article is cited in 8 papers

CONDENSED MATTER

Hybrids of carbyne and fullerene

A. R. Sabirovab, I. V. Stankevicha, L. A. Chernozatonskiib

a Institute of Organoelement Compounds of the Russian Academy of Sciences, Moscow
b Institute of Biochemical Physics, Russian Academy of Sciences, Moscow

Abstract: A new class of quasi-linear carbon molecules [C60] n [C m ] n−1 consisting of n fullerenes C60 linked by n−1 carbyne-type C m fragments with a system of conjugated bonds is described. The possible geometric configurations of such molecules and crystals on their base are discussed. The structure optimization by the empirical (MM+), semiempirical (PM3), and ab initio (HF/6-21) methods showed that these molecules are energetically stable.

PACS: 61.48.+c

Received: 25.12.2003


 English version:
Journal of Experimental and Theoretical Physics Letters, 2004, 79:3, 121–125

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