| Project/Area Number |
14350007
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| Research Category |
Grant-in-Aid for Scientific Research (B)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
Applied materials science/Crystal engineering
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| Research Institution | Japan Synchrotron Radiation Research Institute (2003)
Nagoya University (2002) |
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Principal Investigator |
TAKATA Masaki Japan Synchrotron Radiation Research Institute, Materials Science Division, Chief Scientist, 利用研究促進部門I・構造物性Iグループ・グループリーター, 主席研究員 (60197100)
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| Co-Investigator(Kenkyū-buntansha) |
KATO Kenichi Japan Synchrotron Radiation Research Institute, Materials Science Division, Research Scientist, 利用研究促進部門I・動的構造チーム, 研究員 (90344390)
篠原 久典 名古屋大学, 大学院・工学研究科, 教授 (50132725)
坂田 誠 名古屋大学, 大学院・工学研究科, 教授 (40135306)
西堀 英治 名古屋大学, 大学院・工学研究科, 助手 (10293672)
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| Project Period (FY) |
2002 – 2003
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| Project Status |
Completed (Fiscal Year 2003)
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| Budget Amount *help |
¥16,800,000 (Direct Cost: ¥16,800,000)
Fiscal Year 2003: ¥5,300,000 (Direct Cost: ¥5,300,000)
Fiscal Year 2002: ¥11,500,000 (Direct Cost: ¥11,500,000)
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| Keywords | 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 |
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| Research Abstract |
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.
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