Structure of [60]fullerene with a mobile lithium cation inside.

ABSTRACT: The structure of crystalline [60]fullerene with a lithium cation inside (Li⁺@C₆₀) was determined by synchrotron radiation X-ray diffraction measurements to understand the electrostatic and thermal properties of the encapsulated Li⁺ cation. Although the C₆₀ cages show severe orientation disorder in [Li⁺@C₆₀](TFPB^-)·C₄H₁₀O and [Li⁺@C₆₀](TFSI^-)·CH₂Cl₂, the Li⁺ cations are rather ordered at specific positions by electrostatic interactions with coordinated anions outside the C₆₀ cage. The Li⁺@C₆₀ molecules in [Li⁺@C₆₀](ClO₄^-) with a rock-salt-type cubic str

SUBMITTER: Aoyagi S 

PROVIDER: S-EPMC6083684 | biostudies-literature | 2018 Jul

REPOSITORIES: biostudies-literature