Structural Study of Endohedral Mtallaofullerenes encapsulated in peapod.

豆荚内嵌金属富勒烯的结构研究。

• 批准号: 14350007
• 负责人: TAKATA Masaki
• 金额: $ 10.75万
• 依托单位: Japan Synchrotron Radiation Research Institute (2003)Nagoya University (2002)
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for Scientific Research (B)
• 财政年份: 2002
• 资助国家: 日本
• 起止时间: 2002 至 2003
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/en/grant/KAKENHI-PROJECT-14350007/
• 关键词: Metallofullerene; Maximum Entropy Method; Powder Diffraction; Synchrotron Radiation; Charge Density; 放射光粉末X線回折; 電子密度解析; 構造解析; 電荷移動; 粉末X線回折

The molecular structure and bonding nature of metal atoms encapsulatd in fullerene cage is important structural information relating to stability of metallofullerene endohedral structure and the metallofullerene encapsulating peapods. The experimental charge density studies of endohedral metallofullerenes by the Synchrotron Radiation (SR) powder diffraction utilizing the Maximum Entropy Method (MEM) were carried out. Results of the endohedral metallofulleres (Gd@C_<82>, La_2@C_<80>, Y_2@C_<82> and Y_2C_2@C_<84>, ) were determined for the first time. The precise MEM charge densities of the metallofullerenes reveal existence of ionic and/or covalent bonding between metal atoms and carbon cage as well as the feature of thermal motion of metal atoms inside the carbon cage. The MEM/Rietveld method, which is the crucial methods for data analysis in order to determine endohedral structure of the fulleride, were further developed for the powerful structure analysis technique of nano-porous materials.

富勒烯笼中金属原子的分子结构和成键性质是关系到金属富勒烯内包结构稳定性和金属富勒烯包覆豆荚稳定性的重要结构信息。利用同步辐射粉末衍射技术，采用最大熵法（MEM）对内嵌金属富勒烯的电荷密度进行了实验研究。首次测定了<82>Gd@C_1，La_2@C_1<80>，Y_2@C_1，<82>Y_2C_2@C_14<84>种内嵌金属富勒烯的结构。精确的MEM电荷密度的金属富勒烯揭示存在的离子和/或共价键金属原子和碳笼之间，以及热运动的碳笼内的金属原子的功能。MEM/Rietveld方法是确定富勒烯内晶结构的关键数据分析方法，该方法的发展为纳米多孔材料的结构分析提供了有力的手段。

项目成果

高田昌樹: "Structures of a Single-component Palladium Complex with Extended TTF-type Dithiolate Ligands, Bis(tetratiafulvalenedithiolato)palladium Determined by Powder X-ray Diffraction"Chemistry Letter.. 132. 1106-1107 (2003)

高田正树：“通过粉末 X 射线衍射测定的具有扩展 TTF 型二硫醇盐配体的单组分钯配合物双（四​​富瓦伦二硫醇）钯的结构”化学快报.. 132. 1106-1107 (2003)

Y.Maniwa, H.Kataura, M.Abe, A.Fujiwara, R.Fujiwara, H.Kira.H.Tou, S.Suzuki, Y.Achiba, E.Nishibori, M.Takata, M.sakata, H.Suematsu: "C_<70> Molecular Stumbling inside Single-Walled Carbon Nanotubes"J. Phys. Soc. Jap.. 72. 45-48 (2002)

Y.Maniwa、H.Kataura、M.Abe、A.Fujiwara、R.Fujiwara、H.Kira.H.Tou、S.Suzuki、Y.Achiba、E.Nishibori、M.Takata、M.sakata、H.

M.Takata, E.Nishibori, M.Sakata: "Endofullerenes : Chapter 9-Structures of Fullerides and Endohedral Metallofullerenes Found by MEM/Rietveld Method"A New Family of Carbon Clusters Kluwer Academrc Publrshers, London. 297(185-216) (2003)

M.Takata、E.Nishibori、M.Sakata：“内富勒烯：第 9 章 - MEM/Rietveld 方法发现的富勒烯和内嵌金属富勒烯的结构”碳簇新族 Kluwer Academrc 出版社，伦敦。

Masaki Takata: "Structure and Bonding, Vol.109 "Fullerene-Based Materials""Springer-Verlag. 59-84 (2004)

高田正树：“结构与粘合，第 109 卷“富勒烯基材料””Springer-Verlag。

Kenichi Kato: "Direct observation of charge transfer in double-perovskite-like RbMn[Fe(CN)_6]"Phys.Rev.Lett. 91. 255502 (2003)

Kenichi Kato：“直接观察双钙钛矿型 RbMn[Fe(CN)_6] 中的电荷转移”Phys.Rev.Lett。