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首页> 外文期刊>Chemistry: A European journal >The Extended View on the Empty C-2(3)-C(82)Fullerene: Isolation, Spectroscopic, Electrochemical, and Spectroelectrochemical Characterization and DFT Calculations
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The Extended View on the Empty C-2(3)-C(82)Fullerene: Isolation, Spectroscopic, Electrochemical, and Spectroelectrochemical Characterization and DFT Calculations

机译：空C-2（3）-C（82）富勒烯的扩展视图：分离，光谱，电化学和光谱电化学表征和DFT计算

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摘要

An extended study of the spectroscopic and redox properties of the C-82 fullerene is presented. Among the nine isolated-pentagon-rule (IPR) isomers of the C-82 fullerene the C-82(3) isomer with C, symmetry is the only stable, empty fullerene structure formed in the arc burning process that can be isolated in an isomerically pure form. Here, its formation and isolation are described and its structure is confirmed by experimental spectroscopic studies as well as time-dependent DFT calculations. ne electrochemistry of the C-82(3) isomer is studied in detail by cyclic voltammetry and spectroelectro-chemistry. The anionic species of C, with the charge ranging from C-82(-) to C-82(4-) were successively generated in o-dichlorobenzene solution at room temperature and characterized by in situ ESR and visibleear-infrared (Vis/NIR) spectroscopy. The data give new insights into the charged states of the C-82(3) fullerene.
机译：提出了对C-82富勒烯的光谱和氧化还原特性的扩展研究。在C-82富勒烯的C-82（3）异构体与C的九个孤立的五角规则（IPR）异构体中，对称性是在电弧燃烧过程中形成的唯一稳定，空的富勒烯结构，可以在异构纯形式。在这里，描述了它的形成和分离，并通过实验光谱研究以及与时间有关的DFT计算来确认其结构。通过循环伏安法和光谱电化学方法详细研究了C-82（3）异构体的电化学。室温下在邻二氯苯溶液中依次生成电荷为C-82（-）至C-82（4-）的C阴离子物种，并通过原位ESR和可见/近红外（Vis / NIR）。数据为C-82（3）富勒烯的带电状态提供了新的见解。

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