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两个非常大且大部分为空的笼状富勒烯的分离和结构表征：Tm@C(3v)-C(94)和 Ca@C(3v)-C(94)。

Isolation and structural characterization of two very large, and largely empty, endohedral fullerenes: Tm@C(3v)-C(94) and Ca@C(3v)-C(94).

机构信息

Department of Chemistry, Zhejiang University, Hangzhou 310027, China.

出版信息

Inorg Chem. 2009 Jul 6;48(13):6004-10. doi: 10.1021/ic900322d.

DOI:10.1021/ic900322d
PMID:19507844
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2878390/
Abstract

The structures of two newly synthesized endohedral fullerenes, Tm@C(3v)-C(94) and Ca@C(3v)-C(94), have been determined by single crystal X-ray diffraction on samples cocrystallized with Ni(II)(octaethylporphyrin). Both compounds exhibit the same cage geometry and conform to the isolated pentagon rule (IPR). The metal ions within these rather large cages are localized near one end and along the C(3) axis. While the calcium ion is situated over a C-C bond at a 6:6 ring junction, the thulium ion is positioned above a six-membered ring of the fullerene.

摘要

两种新合成的笼状富勒烯 Tm@C(3v)-C(94)和 Ca@C(3v)-C(94)的结构已通过与 Ni(II)(八乙基卟啉)共结晶的样品的单晶 X 射线衍射确定。这两种化合物均表现出相同的笼状几何形状，并符合孤立五边形规则 (IPR)。这些相当大的笼中的金属离子位于一个末端附近，并沿着 C(3)轴定位。虽然钙离子位于 C-C 键上方的 6:6 环连接点处，但铥离子则位于富勒烯的一个六元环上方。