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Ion-molecule reactions catalyzed by a single gold atom
Chemical Science ( IF 8.4 ) Pub Date : 2020-07-27 , DOI: 10.1039/d0sc03523h
Shengfu Yang 1, 2, 3, 4 , Hong Wu 5, 6, 7, 8 , Qiquan Luo 5, 6, 7, 8 , Aula M. Al Hindawi 1, 2, 3, 4, 9 , Berlian Sitorus 1, 2, 3, 4, 9 , Andrew M. Ellis 1, 2, 3, 4 , Jinlong Yang 5, 6, 7, 8
Affiliation  

We report that Au atoms within van der Waals complexes serve as catalysts for the first time. This was observed in ionization-induced chemistry of 1,6-hexanediol–Au and 1,8-octanediol–Au complexes formed in superfluid helium nanodroplets, where the addition of Au atom(s) made C2H4+ the sole prominent product in dissociative reactions. Density functional theory (DFT) calculations showed that the Au atom significantly strengthens all of the C–C bonds and weakens the C–O bonds in the meantime, making the C–C bonds stronger than the two C–O bonds in the ionized complexes. This leads to a preferential cleavage of the C–O bonds and thus a strong catalytic effect of the Au atoms in the reactions.

中文翻译:

单个金原子催化的离子分子反应

我们报道范德华配合物中的金原子首次用作催化剂。在超流体氦纳米液滴中形成的1,6-己二醇-Au和1,8-辛二醇-Au络合物的电离诱导化学中观察到了这一点,其中Au原子的加入使C 2 H 4 +成为唯一的突出产物在解离反应中。密度泛函理论(DFT)计算表明,Au原子同时显着增强了所有C–C键,同时弱化了C–O键,从而使C–C键比离子化配合物中的两个C–O键更强。这导致了C–O键的优先裂解,因此Au原子在反应中具有强大的催化作用。
更新日期:2020-08-20
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