Structure of Tm2 and Tm2C2 encapsulated in low-symmetry C82(Cs(6)) fullerene cage by single crystal X-ray diffraction

Yuki Sado; Shinobu Aoyagi; Noriko Izumi; Ryo Kitaura; Tim Kowalczyk; Jian Wang; Stephan Irle; Eiji Nishibori; Kunihisa Sugimoto; Hisanori Shinohara

doi:10.1016/j.cplett.2014.03.047

Structure of Tm₂ and Tm₂C₂ encapsulated in low-symmetry C₈₂(C_s(6)) fullerene cage by single crystal X-ray diffraction

Yuki Sado, Shinobu Aoyagi, Noriko Izumi, Ryo Kitaura, Tim Kowalczyk, Jian Wang, Stephan Irle, Eiji Nishibori, Kunihisa Sugimoto, Hisanori Shinohara

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18 Scopus citations

Abstract

The molecular structures of Tm₂@C₈₂(C_s(6)) and Tm₂C₂@C₈₂(C_s(6)) are determined by means of single crystal X-ray diffraction using the co-crystals with nickel octaethylporphyrin (Ni(OEP)). The molecular orientations and Tm positions of Tm₂@C₈₂(C_s(6)) and Tm₂C ₂@C₈₂(C_s(6)) are basically the same each other. One of the two Tm positions is very close to the Tm position of Tm@C ₈₂(C_s(6)). These facts demonstrate that the stable endohedral Tm positions are not fundamentally affected by the addition of the other Tm atoms but dependent on the kind of the fullerene cage structure.

Original language	English
Pages (from-to)	38-42
Number of pages	5
Journal	Chemical Physics Letters
Volume	600
DOIs	https://doi.org/10.1016/j.cplett.2014.03.047
State	Published - Apr 29 2014
Externally published	Yes

Funding

H.S. thanks the Grant-in-Aid for Scientific Research S (No. 22225001) of MEXT, Japan, for the partial support of the present study. T.K. gratefully acknowledges a postdoctoral fellowship from JSPS. We also thank Dr. Yasuyuki Yamada for advising the method of the crystallization. The synchrotron radiation experiments were performed at SPring-8 with approval of the Japan Synchrotron Radiation Research Institute (JASRI).

Funders	Funder number
Japan Society for the Promotion of Science	22225001, 26460057
Ministry of Education, Culture, Sports, Science and Technology

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title = "Structure of Tm2 and Tm2C2 encapsulated in low-symmetry C82(Cs(6)) fullerene cage by single crystal X-ray diffraction",

abstract = "The molecular structures of Tm2@C82(Cs(6)) and Tm2C2@C82(Cs(6)) are determined by means of single crystal X-ray diffraction using the co-crystals with nickel octaethylporphyrin (Ni(OEP)). The molecular orientations and Tm positions of Tm2@C82(Cs(6)) and Tm2C 2@C82(Cs(6)) are basically the same each other. One of the two Tm positions is very close to the Tm position of Tm@C 82(Cs(6)). These facts demonstrate that the stable endohedral Tm positions are not fundamentally affected by the addition of the other Tm atoms but dependent on the kind of the fullerene cage structure.",

author = "Yuki Sado and Shinobu Aoyagi and Noriko Izumi and Ryo Kitaura and Tim Kowalczyk and Jian Wang and Stephan Irle and Eiji Nishibori and Kunihisa Sugimoto and Hisanori Shinohara",

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doi = "10.1016/j.cplett.2014.03.047",

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T1 - Structure of Tm2 and Tm2C2 encapsulated in low-symmetry C82(Cs(6)) fullerene cage by single crystal X-ray diffraction

AU - Sado, Yuki

AU - Aoyagi, Shinobu

AU - Izumi, Noriko

AU - Kitaura, Ryo

AU - Kowalczyk, Tim

AU - Wang, Jian

AU - Irle, Stephan

AU - Nishibori, Eiji

AU - Sugimoto, Kunihisa

AU - Shinohara, Hisanori

PY - 2014/4/29

Y1 - 2014/4/29

N2 - The molecular structures of Tm2@C82(Cs(6)) and Tm2C2@C82(Cs(6)) are determined by means of single crystal X-ray diffraction using the co-crystals with nickel octaethylporphyrin (Ni(OEP)). The molecular orientations and Tm positions of Tm2@C82(Cs(6)) and Tm2C 2@C82(Cs(6)) are basically the same each other. One of the two Tm positions is very close to the Tm position of Tm@C 82(Cs(6)). These facts demonstrate that the stable endohedral Tm positions are not fundamentally affected by the addition of the other Tm atoms but dependent on the kind of the fullerene cage structure.

AB - The molecular structures of Tm2@C82(Cs(6)) and Tm2C2@C82(Cs(6)) are determined by means of single crystal X-ray diffraction using the co-crystals with nickel octaethylporphyrin (Ni(OEP)). The molecular orientations and Tm positions of Tm2@C82(Cs(6)) and Tm2C 2@C82(Cs(6)) are basically the same each other. One of the two Tm positions is very close to the Tm position of Tm@C 82(Cs(6)). These facts demonstrate that the stable endohedral Tm positions are not fundamentally affected by the addition of the other Tm atoms but dependent on the kind of the fullerene cage structure.

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JF - Chemical Physics Letters

ER -

Structure of Tm₂ and Tm₂C₂ encapsulated in low-symmetry C₈₂(C_s(6)) fullerene cage by single crystal X-ray diffraction

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