Rock-salt-type crystal of thermally contracted C60 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 C60 with encapsulated lithium cation

Angew Chem Int Ed Engl. 2012 Apr 2;51(14):3377-81. doi: 10.1002/anie.201108551. Epub 2012 Feb 28.

Authors

Shinobu Aoyagi¹, Yuki Sado, Eiji Nishibori, Hiroshi Sawa, Hiroshi Okada, Hiromi Tobita, Yasuhiko Kasama, Ryo Kitaura, Hisanori Shinohara

Affiliation

¹ Department of Information and Biological Science, Nagoya City University, Japan. aoyagi@nsc.nagoya-cu.ac.jp

PMID: 22374838
DOI: 10.1002/anie.201108551

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) 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) .