Novel Structure of Fullerenes and Endohedral Fullerenes
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P10.3.1
Novel Structure of Fullerenes and Endohedral Fullerenes Chun-Ru Wang, Chun-Li Bai, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100080, China Hisanori Shinohara, Department of Chemistry, Nagoya University, Nagoya 464-8602, Japan ABSTRACT By using Krätschmer-Huffman synthesis and HPLC separation method we have isolated a series of novel fullerenes and endohedral fullerenes. Various spectroscopic techniques, e.g., MS, NMR, UV-vis-NIR, TEM, X-ray diffraction spectrometry etc., were adopted to characterize the isolated fullerenes. Several fullerenes were revealed to hold novel structures and electronic properties. For examples, C80(D5d) was isolated and characterized to have an ellipsoidal structure which is in fact one of the shortest breaks the well-known SW-nanotubes; The isolation of Sc2@C66 isolated-pentagon-rule (IPR) for the first time, which shows that the unconventional fullerenes may be dramatically stabilized through encaging metal atoms; Sc2C2@C84 is a novel molecular endohedral fullerene in which the Sc2C2 cluster rotates rapidly along the main C2 axis of C84(D2d). This fullerene is predicted to be a molecular magnet and may be used as nano-switcher in electronics. INTRODUCTION Since the discovery of buckminsterfullerene C60 in 1985 by Kroto et al. [1], the fullerene studies have attracted essential attentions due to their novel structures and electronic properties. It is found that the fullerenes can react with small organic molecules to form fullerene derivatives, or be doped with metal atoms to form fullerene compounds. These reactions greatly expand fullerene applications in various fields such as chemistry, physics, electronics, medicine, superconductivity etc.[2-7]. For examples, the C60 and La@C60 can be used as single molecular devices such as diode and triode etc. [2, 3]; the C60 derivatives are excellent materials for using in solar cells [4], and the A3C60 fullerene compounds are observed to have superconductivity at temperature as high as 40K [5]; Recently, the edohedral metallofullerene derivatives Gd@C82(OH)40 and Gd@C60(C(COOH) 2) 10 were found to behave high efficiency as MRI contrast agents[6, 7]. However, these applications have been mostly proposed to fullerenes C60, C70, metallofullerenes based on C82, as well as their derivatives, since they are usually high-yielded and available in markets. Along with the development of fullerene sciences and relevant nano-technologies, we believe that some other fullerenes and endohedral fullerenes are also important and expected to find more
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potential applications. Here, we report the first syntheses, isolations and structural characterizations of several typical novel fullerenes and endohedral fullerene. The geometrical and electronic properties of them were studied preliminarily.
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