Krause Matthias, Wong Joanna, Dunsch Lothar
Leibniz-Institute for Solid State and Materials Research Dresden, Institute of Solid State Research, Group of Electrochemistry and Conducting Polymers, 01171 Dresden, Germany.
Chemistry. 2005 Jan 7;11(2):706-11. doi: 10.1002/chem.200400673.
A new family of endohedral fullerenes, based on an encaged trithulium nitride (Tm(3)N) cluster, was synthesised, isolated and characterised by HPLC, mass spectrometry, and visible-NIR and FTIR spectroscopy. Tm(3)N clusterfullerenes with cages as small as C(76) and as large as C(88) were prepared and six of them were isolated. Tm(3)N@C(78) is a small clusterfullerene. The two isomers of Tm(3)N@C(80) (I and II) were the most abundant structures in the fullerene soot. Tm(3)N@C(82), Tm(3)N@C(84), and Tm(3)N@C(86) represent a new series of higher clusterfullerenes. All six isolated Tm(3)N clusterfullerenes were classified as large energy-gap structures with optical energy gaps between approximately 1.2 and approximately 1.75 eV. Tm(3)N@C(80) (I) and Tm(3)N@C(80) (II) were assigned to the C(80) cages C(80):7 (I(h)) and C(80):6 (D(5h)). For Tm(3)N@C(78), the analysis pointed to an elliptical carbon cage with C(78):1 (D(3)) or C(78):4 (D(3h)) being the probable structures.
合成了一个基于内嵌三铥氮化物（Tm(3)N）簇的新型内嵌富勒烯家族，并通过高效液相色谱（HPLC）、质谱以及可见-近红外和傅里叶变换红外光谱对其进行了分离和表征。制备了笼大小从C(76)到C(88)的Tm(3)N簇富勒烯，并分离出其中六种。Tm(3)N@C(78)是一种小的簇富勒烯。Tm(3)N@C(80)的两种异构体（I和II）是富勒烯烟灰中含量最高的结构。Tm(3)N@C(82)、Tm(3)N@C(84)和Tm(3)N@C(86)代表了一系列新的更高的簇富勒烯。所有六种分离出的Tm(3)N簇富勒烯都被归类为大禁带结构，其光学禁带在约1.2至约1.75电子伏特之间。Tm(3)N@C(80)（I）和Tm(3)N@C(80)（II）被归属于C(80)笼的C(80):7（I(h)）和C(80):6（D(5h)）。对于Tm(3)N@C(78)，分析表明其可能的结构为具有C(78):1（D(3)）或C(78):4（D(3h)）的椭圆形碳笼。
