论文标题
原子金离子聚集了贵重气体:氦气,霓虹灯,氩,k和氙气
Atomic Gold Ions Clustered with Noble Gases: Helium, Neon, Argon, Krypton, and Xenon
论文作者
论文摘要
氦液滴的高分辨率质谱,掺有黄金和电子电离,显示出$ _n $ au $^+$ cluster离子。额外的掺杂带有沉重的贵重气体会导致Nenau+,ar $ _n $ au $^+$,kr $ _n $ au $^+$,xe $ _n $ _n $ au $^$^+$ cluster ions。预测的高稳定性是共价键合的$ _2 $ au $^+$,kr $ _2 $ au $^+$,而Xe $ _2 $ au $^+$的高稳定性反映在其相对较高的丰度中。令人惊讶的是,NE $ _2 $ au $^+$的丰度预计具有零价值键合字符,并且没有增强的稳定性也具有局部最大值。基本非方向键合离子周围离子周围的完整溶剂化壳的预测尺寸和结构主要取决于离子配体$的比率$σ$*,而配体配体距离。对于Au $^+$进行的氦和霓虹灯溶剂,比率$σ$*略低于1,有利于二十面体包装,同意在相应的丰度分布中的最大值$ n $ = 12。对于Ar $ _n $ au $^+$,$σ$* $* $ \ $ \ $ 0.67,人们期望一个八面体对称的溶剂壳,同意$ n $ = 6的增强的离子丰度。在Ar $ _9 $ _9 $ au $ _uu $^+$^+$^$^+$^+$ n $ n $ n $ nomaly中,它是当地的,它计算出了计算机的最大值。
High-resolution mass spectra of helium droplets doped with gold and ionized by electrons reveal He$_n$Au$^+$ cluster ions. Additional doping with heavy noble gases results in NenAu+, Ar$_n$Au$^+$, Kr$_n$Au$^+$, and Xe$_n$Au$^+$ cluster ions. The high stability predicted for covalently bonded Ar$_2$Au$^+$, Kr$_2$Au$^+$, and Xe$_2$Au$^+$ is reflected in their relatively high abundance. Surprisingly, the abundance of Ne$_2$Au$^+$ which is predicted to have zero covalent bonding character and no enhanced stability features a local maximum, too. The predicted size and structure of complete solvation shells surrounding ions with essentially non-directional bonding depends primarily on the ratio $σ$* of the ion-ligand $versus$ the ligand-ligand distance. For Au$^+$ solvated in helium and neon the ratio $σ$* is slightly below 1, favoring icosahedral packing in agreement with a maximum observed in the corresponding abundance distributions at $n$ = 12. He$_n$Au$^+$ appears to adopt two additional solvation shells of $I_h$ symmetry, containing 20 and 12 atoms, respectively. For Ar$_n$Au$^+$, with $σ$* $\approx$ 0.67, one would expect a solvation shell of octahedral symmetry, in agreement with an enhanced ion abundance at $n$ = 6. Another anomaly in the ion abundance at Ar$_9$Au$^+$ matches a local maximum in its computed dissociation energy.