Near‐IR Absorption Spectra for the Buckminsterfullerene Anions: an Experimental and Theoretical Study
Near‐IR Absorption Spectra for the Buckminsterfullerene Anions: an Experimental and Theoretical Study
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巴克敏斯特富勒烯阴离子的近红外吸收光谱：实验和理论研究
DOI：
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发表时间：
1992
期刊：
影响因子：
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通讯作者：
B. Parkinson
中科院分区：
文献类型：
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作者：
D. Lawson;D. Feldheim;C. Foss;P. Dorhout;C. M. Elliott;Charles R. Martin;B. Parkinson
翻译后摘要：C60可以存在于一些氧化态，包括C60（1-），C60（2-）和C60（3-）。紫外-可见吸收数据已被描述。没有提供C60任何氧化态的近红外吸收数据。我们发现，这是一个严重的疏忽，因为在C60的一、二和三电子电化学还原时观察到C60（1-）C60（2-）和C60（3-）特有的近红外吸收峰。我们已经合理化的能量和强度的基础上修改的已知的分子轨道图C60的这些电子跃迁。本文报道的近红外光谱为确定溶液中C60的氧化态提供了一条清晰明确的途径。
Abstract : C60 can exist in a number of oxidation states including C60(1-), C60(2-) and C60(3-). Ultraviolet-visible absorption data have been described. Near-infrared absorption data have not been presented for any of the oxidation states of C60. we have discovered that this is a serious oversight, because near-IR absorption peaks which are unique to C60(1-) C60(2-) and C60(3-) are observed upon one, two and three electron electrochemical reductions of C60. We have rationalized the energies and intensities of these electronic absorptions based on modifications of the known molecular orbital diagram for C60. The near-IR absorptions reported here should provide a clear and unambiguous route for determining the oxidation state of C60 in solution.