Charge density level structures of endohedral metallofullerenes determined by synchrotron radiation powder method

Masaki Takata; Eiji Nishibori; Makoto Sakata; Hisanori Shinohara

Charge density level structures of endohedral metallofullerenes determined by synchrotron radiation powder method

Masaki Takata, Eiji Nishibori, Makoto Sakata, Hisanori Shinohara

Research output: Contribution to journal › Article › peer-review

Abstract

The recent X-ray structural studies of endohedral metallofullerenes by synchrotron radiation (SR) powder diffraction utilizing the maximum entropy method (MEM) are reviewed. Results for endohedral metallofullerenes (Y@C₈₂, La@C₈₂, Sc@C₈₂, Sc₂@C₈₄, Sc₃@C₈₂, Sc₂@C₆₆, La₂@C₈₀ and Sc₂C₂@C₈₄) are given. The precise MEM charge densities of metallofullerenes present direct images of the endohedral nature of metallofullerenes and reveal the features of the charge transfer from metal atoms to a carbon cage, which governs the stability of the unique endohedral structures. The MEM/Rietveld method, which is the crucial method for structural determination of endohedral metallofullerenes based on SR powder data, is also described in some detail.

Original language	English
Pages (from-to)	271-286
Number of pages	16
Journal	New Diamond and Frontier Carbon Technology
Volume	12
Issue number	5
Publication status	Published - 2002
Externally published	Yes

Keywords

Charge density
Maximum entropy method
Metallofullerene
Powder diffraction
Synchrotron radiation

ASJC Scopus subject areas

Materials Science(all)
Surfaces and Interfaces
Surfaces, Coatings and Films

Cite this

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title = "Charge density level structures of endohedral metallofullerenes determined by synchrotron radiation powder method",

abstract = "The recent X-ray structural studies of endohedral metallofullerenes by synchrotron radiation (SR) powder diffraction utilizing the maximum entropy method (MEM) are reviewed. Results for endohedral metallofullerenes (Y@C82, La@C82, Sc@C82, Sc2@C84, Sc3@C82, Sc2@C66, La2@C80 and Sc2C2@C84) are given. The precise MEM charge densities of metallofullerenes present direct images of the endohedral nature of metallofullerenes and reveal the features of the charge transfer from metal atoms to a carbon cage, which governs the stability of the unique endohedral structures. The MEM/Rietveld method, which is the crucial method for structural determination of endohedral metallofullerenes based on SR powder data, is also described in some detail.",

keywords = "Charge density, Maximum entropy method, Metallofullerene, Powder diffraction, Synchrotron radiation",

author = "Masaki Takata and Eiji Nishibori and Makoto Sakata and Hisanori Shinohara",

year = "2002",

language = "English",

volume = "12",

pages = "271--286",

journal = "New Diamond and Frontier Carbon Technology",

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TY - JOUR

T1 - Charge density level structures of endohedral metallofullerenes determined by synchrotron radiation powder method

AU - Takata, Masaki

AU - Nishibori, Eiji

AU - Sakata, Makoto

AU - Shinohara, Hisanori

PY - 2002

Y1 - 2002

N2 - The recent X-ray structural studies of endohedral metallofullerenes by synchrotron radiation (SR) powder diffraction utilizing the maximum entropy method (MEM) are reviewed. Results for endohedral metallofullerenes (Y@C82, La@C82, Sc@C82, Sc2@C84, Sc3@C82, Sc2@C66, La2@C80 and Sc2C2@C84) are given. The precise MEM charge densities of metallofullerenes present direct images of the endohedral nature of metallofullerenes and reveal the features of the charge transfer from metal atoms to a carbon cage, which governs the stability of the unique endohedral structures. The MEM/Rietveld method, which is the crucial method for structural determination of endohedral metallofullerenes based on SR powder data, is also described in some detail.

AB - The recent X-ray structural studies of endohedral metallofullerenes by synchrotron radiation (SR) powder diffraction utilizing the maximum entropy method (MEM) are reviewed. Results for endohedral metallofullerenes (Y@C82, La@C82, Sc@C82, Sc2@C84, Sc3@C82, Sc2@C66, La2@C80 and Sc2C2@C84) are given. The precise MEM charge densities of metallofullerenes present direct images of the endohedral nature of metallofullerenes and reveal the features of the charge transfer from metal atoms to a carbon cage, which governs the stability of the unique endohedral structures. The MEM/Rietveld method, which is the crucial method for structural determination of endohedral metallofullerenes based on SR powder data, is also described in some detail.

KW - Charge density

KW - Maximum entropy method

KW - Metallofullerene

KW - Powder diffraction

KW - Synchrotron radiation

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VL - 12

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EP - 286

JO - New Diamond and Frontier Carbon Technology

JF - New Diamond and Frontier Carbon Technology

SN - 1344-9931

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ER -

Charge density level structures of endohedral metallofullerenes determined by synchrotron radiation powder method

Abstract

Keywords

ASJC Scopus subject areas

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