各向同性压力对分子[ Ag44（SPhCOOH）30]4-、[ Ag44（SPhF2）30]4-和[ Ag25（SPhMe2）18]-纳米团簇电子结构和超原子轨道的影响
The Effect of Isotropic Pressure on the Electronic Structure and Superatomic Orbitals of Molecular [Ag44(SPhCOOH)30]4-, [Ag44(SPhF2)30]4- & [Ag25(SPhMe2)18]- Nanoclusters
摘要：
我们提出了第一个实验研究的影响，增加各向同性压力的超原子电子结构的金属纳米团簇的分子状态。在200 MPa压力下对[Ag 44（SPhCOOH）30]4-、[Ag 44（SPhF 2）30]4-和[Ag 25（SPhMe 2）18]-纳米团簇进行了光学检测，发现超原子电子结构发生了可逆的变化。从环境光谱的偏差变得显着高于50 MPa，揭示了红色和蓝移的光谱特征。计算的电子跃迁的光谱峰的比较表明，配位体上的电子态是不稳定的，并且随着压力的增加，超原子轨道的分裂减少。这些发现强调了在相对适度的压力下，金属纳米团簇的基本超原子电子结构可以被操纵，因此包含纳米团簇的功能材料的光学和电子性质，例如在太阳能电池和光催化器件中，可以通过施加压力来调节。
英文摘要：
We present the first experimental investigation of the effect of increased isotropic pressure on the superatomic electronic structure of metal nanoclusters in the molecular state. Broad multiband absorbing [Ag44(SPhCOOH)30]4-, [Ag44(SPhF2)30]4- & [Ag25(SPhMe2)18]- nanoclusters were optically examined up to 200 MPa, revealing a reversible change to the superatomic electronic structure. Deviations from the ambient spectra became significant above 50 MPa, revealing both red and blue shifts to spectral features. Comparison of the spectral peaks to calculated electronic transitions indicate that electronic states on the ligand are destabilized and that the splitting of the superatomic orbitals decreases with increasing pressure. These findings highlight that under relatively modest pressure the fundamental superatomic electronic structure of metal nanoclusters can be manipulated, thus the optical and electronic properties of functional materials containing nanoclusters such as in solar cells and photocatalytic devices can be tuned by the application of pressure.
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