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Ion-molecule reactions catalyzed by a single gold atom.

ABSTRACT: 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.

SUBMITTER: Yang S

PROVIDER: S-EPMC8163403 | biostudies-literature | 2020 Jul

REPOSITORIES: biostudies-literature

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Ion-molecule reactions catalyzed by a single gold atom.

Yang Shengfu S Wu Hong H Luo Qiquan Q Al Hindawi Aula M AM Sitorus Berlian B Ellis Andrew M AM Yang Jinlong J

Chemical science 20200727 32

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 t ...[more]

PMID: 34123111

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