首页> 外文期刊>The Journal of Chemical Physics >THE C-1S SHAKEUP SPECTRA OF BUCKMINSTERFULLERENE, ACENAPHTHYLENE, AND NAPHTHALENE, STUDIED BY HIGH RESOLUTION X-RAY PHOTOELECTRON SPECTROSCOPY AND QUANTUM MECHANICAL CALCULATIONS
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THE C-1S SHAKEUP SPECTRA OF BUCKMINSTERFULLERENE, ACENAPHTHYLENE, AND NAPHTHALENE, STUDIED BY HIGH RESOLUTION X-RAY PHOTOELECTRON SPECTROSCOPY AND QUANTUM MECHANICAL CALCULATIONS

机译:高分辨率X射线光电子能谱和量子力学计算研究BUCKMINSTERFULLERENE,乙炔和萘的C-1S混合光谱

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摘要

The C-1s core photoelectron shakeup spectrum of fullerene has been studied experimentally and theoretically, as well as the corresponding spectra of the smaller model compounds acenaphthylene and naphthalene. It is found that many of the shakeup excitations of C-60 Can be classified in terms of excitations found in the model compounds. A population analysis of the orbitals involved reveals a systematic behavior, enabling a generalization to extended aromatic systems and to an infinite graphite layer. (C) 1995 American Institute of Physics. [References: 34]
机译:对富勒烯的C-1s核光电子摇动光谱进行了实验和理论研究,以及较小模型化合物和萘的对应光谱也进行了研究。发现许多C-60的激发激发可以根据模型化合物中发现的激发进行分类。对所涉及的轨道进行的总体分析揭示了系统的行为,从而可以推广到扩展的芳族体系和无限的石墨层。 (C)1995年美国物理研究所。 [参考:34]

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