Probing the structures of neutral boron clusters using infrared/vacuum ultraviolet two color ionization: B11, B16, and B17.
Probing the structures of neutral boron clusters using infrared/vacuum ultraviolet two color ionization: B11, B16, and B17.
复制标题
DOI：
10.1063/1.4732308
复制
发表时间：
2012-07
期刊：
影响因子：
--
通讯作者：
C. Romanescu;D. Harding;A. Fielicke;Lai‐Sheng Wang
中科院分区：
文献类型：
--
作者：
C. Romanescu;D. Harding;A. Fielicke;Lai‐Sheng Wang
用振动光谱和从头计算方法研究了中性硼原子簇B（11）、B（16）和B（17）的结构。在650 ~ 1550 cm（-1）波长范围内，三个中性硼团簇在157 nm（7.87 eV）紫外波长处被可调谐红外光子共振吸收后，其近阈值电离效率得到了增强。所有三个簇，B（11），B（16），和B（17），被发现具有平面或准平面结构，类似于它们相应的阴离子对应物（B（n）（-），其全局极小值被发现以前是平面的，使用光电子能谱和理论计算。只有轻微的结构变化之间的中性和阴离子物种观察到这三个硼簇。
The structures of neutral boron clusters, B(11), B(16), and B(17), have been investigated using vibrational spectroscopy and ab initio calculations. Infrared absorption spectra in the wavelength range of 650 to 1550 cm(-1) are obtained for the three neutral boron clusters from the enhancement of their near-threshold ionization efficiency at a fixed UV wavelength of 157 nm (7.87 eV) after resonant absorption of the tunable infrared photons. All three clusters, B(11), B(16), and B(17), are found to possess planar or quasi-planar structures, similar to their corresponding anionic counterparts (B(n) (-)), whose global minima were found previously to be planar, using photoelectron spectroscopy and theoretical calculations. Only minor structural changes are observed between the neutral and the anionic species for these three boron clusters.