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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Electronic Structures and Chemical Bonding of Fluorinated Fullerenes Studied by NEXAFS, UPS, and Vacuum-UV Absorption Spectroscopies
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Electronic Structures and Chemical Bonding of Fluorinated Fullerenes Studied by NEXAFS, UPS, and Vacuum-UV Absorption Spectroscopies

机译：NEXAFS，UPS和真空-UV吸收光谱研究氟代富勒烯的电子结构和化学键合

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摘要

The chemical bonding and the electronic structures of C_(60)F_x and C_(70)F_x were investigated by near edge X-ray absorption fine structure (NEXAFS) spectroscopy and UV photoemission spectroscopy (UPS), which are useful methods for examining the unoccupied and the occupied states, respectively. With these results and XPS measurements, we derived the electronic energy diagram of C_(60)F_x and discussed the change of the electronic structure from that of C_(60) by fluorination. The energies of the LUMO and the Fermi level of solid C_(60)F_(48) were estimated to be -5.0 and -5.4 eV below the vacuum level, indicating that highly doped C_(60)F_x is a strong electron acceptor. The electronic absorption spectra of C_(60)F_x solutions deep into the vacuumultraviolet region were also measured, and the isomerism of C_(60)F_x was discussed by comparing the observed results with theoretical simulations.
机译：通过近缘X射线吸收精细结构光谱法（NEXAFS）和紫外光发射光谱法（UPS）研究了C_（60）F_x和C_（70）F_x的化学键合和电子结构，这是检查未占据者的有用方法。和占领状态。利用这些结果和XPS测量，我们得出了C_（60）F_x的电子能图，并讨论了通过氟化从C_（60）的电子结构变化。估计LUMO的能量和固体C_（60）F_（48）的费米能级比真空能级低-5.0和-5.4 eV，表明高掺杂的C_（60）F_x是强电子受体。还测量了真空紫外区深处的C_（60）F_x溶液的电子吸收光谱，并通过将观察到的结果与理论模拟进行比较，讨论了C_（60）F_x的异构体。

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