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首页> 外文期刊>Chemistry: A European journal >Expanding the Number of Stable Isomeric Structures of the C_(80) Cage: A New Fullerene Dy_3N@C_(80)
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Expanding the Number of Stable Isomeric Structures of the C_(80) Cage: A New Fullerene Dy_3N@C_(80)

机译：扩大C_（80）笼的稳定等规结构的数目：一种新的富勒烯Dy_3N @ C_（80）

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The production,isolation,and spectroscopic characterization of a new Dy_3N@C_(80) cluster fullerene that exhibits three isomers (1-3) is reported for the first time.In addition,the third isomer (3) forms a completely new C_(80 cage structure that has not been reported in any endohedral fullerenes so far.The isomeric structures of the Dy_3N@ C_(80) cluster fullerene were analyzed by studying HPLC retention behavior,laser desorption time-of-flight (LD-TOF) mass spectrometry,and UV-Vis-NIR and FTIR spectroscopy.The three isomers of Dy_3N@C_(80) were all large band-gap (1.51,1.33,and 1.31 eV for 1-3,respectively) materials,and could be classified as very stable fullerenes.According to results of FTIR spectroscopy,the Dy_3N@C_(80) (I) (1) was assigned to the fullerene cage C_(80):7 (I_h),whereas Dy_3N@C_(80) (II) (2) had the cage structure of C_(80):6 (D_(5h)).The most probable cage structure of Dy_3N@C_(80) (III) (3) was proposed to be C_(80):l (D_(5d)).The significant differences between Dy_3N@C_(80) and other reported M_3N@C_(80) (M = Sc,Y,Gd,Tb,Ho,Er,Tm) cluster fullerenes are discussed in detail,and the strong influence of the metal on the nitride cluster fullerene formation is concluded.
机译：首次报道了具有三个异构体（1-3）的新型Dy_3N @ C_（80）簇富勒烯的生产，分离和光谱表征。此外，第三异构体（3）形成了一个全新的C_（到目前为止，尚未在任何内膜富勒烯中报道80个笼结构。通过研究HPLC保留行为，激光解吸飞行时间（LD-TOF）质谱分析了Dy_3N @ C_（80）簇富勒烯的异构结构。 Dy_3N @ C_（80）的三个异构体均为大带隙（1-3分别为1.51、1.33和1.31 eV）材料，可以分为非常高的带隙材料。根据FTIR光谱结果，将Dy_3N @ C_（80）（I）（1）分配给富勒烯笼C_（80）：7（I_h），而Dy_3N @ C_（80）（II）（ 2）具有C_（80）：6（D_（5h））的笼状结构.Dy_3N @ C_（80）（III）（3）的最可能笼状结构建议为C_（80）：l（D_ （5d））。详细讨论了Dy_3N @ C_（80）和其他报道的M_3N @ C_（80）（M = Sc，Y，Gd，Tb，Ho，Er，Tm）团簇富勒烯，以及金属对氮化物团簇的强烈影响富勒烯形成结束。

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