Crystallographic Structure
Determination of Both [5,6]-
and [6,6]-Isomers of Lithium-Ion-Containing Diphenylmethano[60]fullerene
Hiroshi Okada
Hiroki Kawakami
Shinobu Aoyagi
Yutaka Matsuo
10.1021/acs.joc.7b00730.s002
https://acs.figshare.com/articles/dataset/Crystallographic_Structure_Determination_of_Both_5_6_-_and_6_6_-Isomers_of_Lithium-Ion-Containing_Diphenylmethano_60_fullerene/5017085
Organic
functionalization of lithium-ion-containing [60]fullerene,
Li<sup>+</sup>@C<sub>60</sub>, was performed by using diphenyl(diazo)methane
as a stable, readily available diazo compound to obtain lithium-ion-containing
[5,6]- and [6,6]-diphenylmethano[60]fullerenes, Li<sup>+</sup>@C<sub>61</sub>Ph<sub>2</sub>. The bis(trifluoromethanesulfonyl)imide (TFSI)
salts of [5,6]- and [6,6]-Li<sup>+</sup>@C<sub>61</sub>Ph<sub>2</sub> were successfully separated by using a cation exchange column with
eluent containing LiTFSI. Improved separation protocol and high crystallinity
of ionic components in less polar solvents enabled separate crystallization
of each isomer. Both [5,6]-open and [6,6]-closed structures of Li<sup>+</sup>@C<sub>61</sub>Ph<sub>2</sub> were determined by synchrotron
radiation X-ray crystallography. Elucidating the [5,6]-open methano[60]fullerene
(fulleroid) structure will contribute to materials research on fulleroids.
2017-05-10 00:00:00
Crystallographic Structure Determination
Li
lithium-ion-containing
diazo compound
C 61 Ph 2
cation exchange column
materials research
C 60
synchrotron radiation X-ray crystallography
separation protocol
TFSI
fulleroid