Detecting Weak Interactions between Au- and Gas Molecules: A Photoelectron Spectroscopic and Ab Initio Study
Detecting Weak Interactions between Au- and Gas Molecules: A Photoelectron Spectroscopic and Ab Initio Study
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DOI：
10.1021/ja903043d
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发表时间：
2009-07-15
影响因子：
15
通讯作者：
Zeng, Xiao Cheng
中科院分区：
文献类型：
--
作者：
Gao, Yi;Huang, Wei;Zeng, Xiao Cheng
我们表明，阴离子光电子能谱可以是一个非常敏感的探针弱分子间相互作用的金阴离子和惰性气体原子或其他非反应性分子。高水平的从头计算支持各种金阴离子-原子络合物之间的相对较弱的分子间相互作用的测量趋势。Au-和H2O之间的相互作用强得多，相当于强氢键。Au-与O-2之间的相互作用比Au-与惰性气体原子（Ar、Kr或Ar）之间的相互作用弱。
We show that anion photoelectron spectroscopy can be a very sensitive probe for weak intermolecular interactions between gold anion and a noble-gas atom or other nonreactive molecule. High-level ab initio calculations support the measured trend of relatively weak intermolecular interactions among various gold anion-atom complexes. The interaction between Au- and H2O is much stronger, comparable to a strong hydrogen bond. The interaction between Au- and O-2 is weaker than that between Au- and a noble-gas atom (Ar, Kr, or Xe).