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首页> 外文期刊>The Journal of Chemical Physics >UV-visible absorption of small gold clusters in neon: Au_n (n 1-5 and 7-9)
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UV-visible absorption of small gold clusters in neon: Au_n (n 1-5 and 7-9)

机译：氖中金小团簇的紫外可见吸收：Au_n（n 1-5和7-9）

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摘要

We present optical absorption spectra in the UV-visible range (1.5 eV ≤E ≤ 6 eV) for mass selected neutral gold clusters Au_n (n = 1-5 and 7-9) embedded in solid Ne at 7 K. The experimental spectra are compared with time-dependent density functional calculations. Electronic transitions are distributed over the whole energy range without any concentration of the oscillator strength in a small energy window, characteristic for the more s-like metals such as the alkalis or silver. Contrary to the case of silver and partly copper clusters, transitions issued from mainly d-type states are significantly involved in low energy transitions. The measured integrated cross section is smaller (≤20%) than expected from a free-electron system, manifesting the strong screening of the s electrons due to the proximity of the s and d levels in gold.
机译：我们提供了嵌入在7 K的固体Ne中的质量选择的中性金簇Au_n（n = 1-5和7-9）在紫外可见光范围内（1.5 eV≤E≤6 eV）的光吸收光谱。与时变密度函数计算进行比较。电子跃迁分布在整个能量范围内，而振动强度没有集中在一个小的能量窗口内，这对于像碱金属或银这样的更像s的金属是特征。与银和部分铜团簇相反，主要由d型态发出的跃迁与低能跃迁有很大关系。测得的积分横截面比自由电子系统的预期要小（≤20％），这表明由于金中s和d含量的接近，对s电子有很强的屏蔽作用。

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