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Photoelectron spectroscopy of boron aluminum hydride cluster anions

机译:硼氢化铝团簇阴离子的光电子能谱

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摘要

Boron aluminum hydride clusters are studied through a synergetic combination of anion photoelectron spectroscopy and density functional theory based calculations. Boron aluminum hydride cluster anions, B_xAl_yH_z~?, were generated in a pulsed arc cluster ionization source and identified by time-offlight mass spectrometry. After mass selection, their photoelectron spectra were measured by a magnetic bottle-type electron energy analyzer. The resultant photoelectron spectra as well as calculations on a selected series of stoichiometries reveal significant geometrical changes upon substitution of aluminum atoms by boron atoms.
机译:通过阴离子光电子能谱和基于密度泛函理论的计算的协同组合研究了硼氢化铝簇。在脉冲电弧簇电离源中生成硼氢化铝簇阴离子B_xAl_yH_z〜α,并通过时离质谱法进行鉴定。进行质量选择后,通过磁性瓶型电子能量分析仪测量其光电子能谱。所得的光电子能谱以及对一系列选定的化学计量学的计算揭示了铝原子被硼原子取代后的显着几何变化。

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