%0 Generic
%A Yang, Hua
%A Jin, Hongxiao
%A Wang, Xinqing
%A Liu, Ziyang
%A Yu, Meilan
%A Zhao, Fukun
%A Mercado, Brandon Q.
%A Olmstead, Marilyn M.
%A Balch, Alan L.
%D 2016
%T X‑ray Crystallographic
Characterization of New Soluble Endohedral
Fullerenes Utilizing the Popular C82 Bucky Cage. Isolation
and Structural Characterization of Sm@C3v(7)‑C82, Sm@Cs(6)‑C82, and Sm@C2(5)‑C82
%U https://acs.figshare.com/articles/dataset/X_ray_Crystallographic_Characterization_of_New_Soluble_Endohedral_Fullerenes_Utilizing_the_Popular_C_sub_82_sub_Bucky_Cage_Isolation_and_Structural_Characterization_of_Sm_i_C_i_sub_3_i_v_i_sub_7_C_sub_82_sub_Sm_i_C_i_sub_i_s_i_sub_6_C_sub_82_sub_and_Sm_i_/2492206
%R 10.1021/ja304867j.s001
%2 https://acs.figshare.com/ndownloader/files/4135069
%K carbon soot
%K carbon rods
%K Sm 2O powder
%K IPR
%K Popular C 82 Bucky Cage
%K sequentially interconvertable
%K elution times
%K endohedral fullerenes
%K pentagon rule
%K New Soluble Endohedral Fullerenes Utilizing
%K Structural Characterization
%K isomers
%K Buckyprep column
%K HPLC chromatography
%X Three isomers of Sm@C82 that are soluble in
organic
solvents were obtained from the carbon soot produced by vaporization
of hollow carbon rods doped with Sm2O3/graphite
powder in an electric arc. These isomers were numbered as Sm@C82(I), Sm@C82(II), and Sm@C82(III) in
order of their elution times from HPLC chromatography on a Buckyprep
column with toluene as the eluent. The identities of isomers, Sm@C82(I) as Sm@Cs(6)-C82, Sm@C82(II) as Sm@C3v(7)-C82, and Sm@C82(III) as Sm@C2(5)-C82, were
determined by single-crystal X-ray diffraction on cocrystals formed
with Ni(octaethylporphyrin). For endohedral fullerenes like La@C82, which have three electrons transferred to the cage to produce
the M3+@(C82)3– electronic
distribution, generally only two soluble isomers (e.g., La@C2v(9)-C82 (major) and La@Cs(6)-C82 (minor)) are observed. In contrast, with samarium, which
generates the M2+@(C82)2– electronic
distribution, five soluble isomers of Sm@C82 have been
detected, three in this study, the other two in two related prior
studies. The structures of the four Sm@C82 isomers that
are currently established are Sm@C2(5)-C82, Sm@Cs(6)-C82, Sm@C3v(7)-C82, and Sm@C2v(9)-C82. All of these isomers obey the isolated pentagon
rule (IPR) and are sequentially interconvertable through Stone–Wales
transformations.
%I ACS Publications