Rock-salt-type crystal of thermally contracted C 60 with encapsulated lithium cation

Shinobu Aoyagi; Yuki Sado; Eiji Nishibori; Hiroshi Sawa; Hiroshi Okada; Hiromi Tobita; Yasuhiko Kasama; Ryo Kitaura; Hisanori Shinohara

doi:10.1002/anie.201108551

Rock-salt-type crystal of thermally contracted C ₆₀ with encapsulated lithium cation

Shinobu Aoyagi, Yuki Sado, Eiji Nishibori, Hiroshi Sawa, Hiroshi Okada, Hiromi Tobita, Yasuhiko Kasama, Ryo Kitaura, Hisanori Shinohara

Institute for Excellence in Higher Education (IEHE) (organization affiliation only)

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

66 Citations (Scopus)

Abstract

Rock solid: Fullerene-encapsulated Li ⁺ (Li ⁺@C ₆₀) is an alkaline cation owing to the spherical shape and positive charge. Li ⁺@C ₆₀ crystallizes as a rock-salt-type crystal in the presence of PF ₆ ^-. The orientations of C ₆₀ (green; see picture) and PF ₆ ^- (orange) are perfectly ordered below 370 K, and Li ⁺ (purple) hops within the cage. At temperatures below 100 K two Li ⁺ units are localized at two polar positions within each C ₆₀.

Original language	English
Pages (from-to)	3377-3381
Number of pages	5
Journal	Angewandte Chemie - International Edition
Volume	51
Issue number	14
DOIs	https://doi.org/10.1002/anie.201108551
Publication status	Published - 2012 Apr 2

Keywords

electrostatic interactions
fullerenes
lithium
molecular devices
phase transitions

ASJC Scopus subject areas

Catalysis
Chemistry(all)

Access to Document

10.1002/anie.201108551

Cite this

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title = "Rock-salt-type crystal of thermally contracted C 60 with encapsulated lithium cation",

abstract = "Rock solid: Fullerene-encapsulated Li + (Li +@C 60) is an alkaline cation owing to the spherical shape and positive charge. Li +@C 60 crystallizes as a rock-salt-type crystal in the presence of PF 6 -. The orientations of C 60 (green; see picture) and PF 6 - (orange) are perfectly ordered below 370 K, and Li + (purple) hops within the cage. At temperatures below 100 K two Li + units are localized at two polar positions within each C 60.",

keywords = "electrostatic interactions, fullerenes, lithium, molecular devices, phase transitions",

author = "Shinobu Aoyagi and Yuki Sado and Eiji Nishibori and Hiroshi Sawa and Hiroshi Okada and Hiromi Tobita and Yasuhiko Kasama and Ryo Kitaura and Hisanori Shinohara",

year = "2012",

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language = "English",

volume = "51",

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journal = "Angewandte Chemie - International Edition",

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T1 - Rock-salt-type crystal of thermally contracted C 60 with encapsulated lithium cation

AU - Aoyagi, Shinobu

AU - Sado, Yuki

AU - Nishibori, Eiji

AU - Sawa, Hiroshi

AU - Okada, Hiroshi

AU - Tobita, Hiromi

AU - Kasama, Yasuhiko

AU - Kitaura, Ryo

AU - Shinohara, Hisanori

PY - 2012/4/2

Y1 - 2012/4/2

N2 - Rock solid: Fullerene-encapsulated Li + (Li +@C 60) is an alkaline cation owing to the spherical shape and positive charge. Li +@C 60 crystallizes as a rock-salt-type crystal in the presence of PF 6 -. The orientations of C 60 (green; see picture) and PF 6 - (orange) are perfectly ordered below 370 K, and Li + (purple) hops within the cage. At temperatures below 100 K two Li + units are localized at two polar positions within each C 60.

AB - Rock solid: Fullerene-encapsulated Li + (Li +@C 60) is an alkaline cation owing to the spherical shape and positive charge. Li +@C 60 crystallizes as a rock-salt-type crystal in the presence of PF 6 -. The orientations of C 60 (green; see picture) and PF 6 - (orange) are perfectly ordered below 370 K, and Li + (purple) hops within the cage. At temperatures below 100 K two Li + units are localized at two polar positions within each C 60.

KW - electrostatic interactions

KW - fullerenes

KW - lithium

KW - molecular devices

KW - phase transitions

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