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Sm@C90 四种异构体的分离与晶体学鉴定。

Isolation and crystallographic identification of four isomers of Sm@C90.

机构信息

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

出版信息

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

DOI:10.1021/ja111465n
PMID:21452811
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.

摘要

四种同素异形体 SmC(90) 是通过电弧蒸发掺杂 Sm(2)O(3) 的碳棒产生的碳烟灰获得的。这些在 Buckyprep 柱上用甲苯作为洗脱剂进行色谱分离时,根据洗脱时间顺序标记为 Sm@C(90)(I)、Sm@C(90)(II)、Sm@C(90)(III) 和 Sm@C(90)(IV)。通过与 Ni(octaethylporphyrin)形成的共晶的单晶 X 射线衍射分析,确定了各个同素异形体的身份如下:I、Sm@C(2)(40)-C(90);II、Sm@C(2)(42)-C(90);III、Sm@C(2v)(46)-C(90) 和 IV、Sm@C(2)(45)-C(90)。这是通过单晶 X 射线衍射确定其单个结构的任何笼状富勒烯同素异形体中最广泛的系列。这四个同素异形体的笼状结构可以通过顺序 Stone-Wales 转化在形式上相互关联。

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