Isolation and crystallographic identification of four isomers of Sm@C90

Hua Yang; Hongxiao Jin; Hongyu Zhen; Zhimin Wang; Ziyang Liu; Christine M Beavers; Brandon Q Mercado; Marilyn M Olmstead; Alan L Balch

doi:10.1021/ja111465n

Isolation and crystallographic identification of four isomers of Sm@C90

J Am Chem Soc. 2011 Apr 27;133(16):6299-306. doi: 10.1021/ja111465n. Epub 2011 Mar 31.

Authors

Hua Yang¹, Hongxiao Jin, Hongyu Zhen, Zhimin Wang, Ziyang Liu, Christine M Beavers, Brandon Q Mercado, Marilyn M Olmstead, Alan L Balch

Affiliation

¹ College of Materials Science and Engineering, China Jiliang University, Hangzhou 310018, China.

PMID: 21452811
DOI: 10.1021/ja111465n

Abstract

Four isomers with the composition SmC(90) were obtained from carbon soot produced by electric arc vaporization of carbon rods doped with Sm(2)O(3). These were labeled Sm@C(90)(I), Sm@C(90)(II), Sm@C(90)(III), and Sm@C(90)(IV) in order of their elution times during chromatography on a Buckyprep column with toluene as the eluent. Analysis of the structures by single-crystal X-ray diffraction on cocrystals formed with Ni(octaethylporphyrin) reveals the identities of the individual isomers as follows: I, Sm@C(2)(40)-C(90); II, Sm@C(2)(42)-C(90); III, Sm@C(2v)(46)-C(90) and IV, Sm@C(2)(45)-C(90). This is the most extensive series of isomers of any endohedral fullerene to have their individual structures determined by single-crystal X-ray diffraction. The cage structures of these four isomers can be related pairwise to one another in a formal sense through sequential Stone-Wales transformations.