Abstract:
A new class of quasi-linear carbon molecules [C60]n[Cm]n−1 consisting of n fullerenes C60 linked by n−1 carbyne-type Cm 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.