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.
Highlights
We report that Au atoms within van der Waals complexes serve as catalysts for the first time
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
Edge Article temperature, multiple pickup of diol molecules was minimized by reducing the diol–H+ channel, which is a signature of diol clusters, and on average each helium droplet contained one Au atom (Fig. S2†)
Summary
Single metal atoms anchored on a surface can have remarkably high catalytic activity and selectivity because of the large surfaceto-volume ratios and/or modi ed catalytic properties.[1,2] Recent discoveries include atomically dispersed Pt atoms and alkali ions on surfaces of alumina and silica that catalyze low-temperature water–gas shi reactions,[3] single Pt atoms on metal oxide surfaces for CO oxidation,[4,5] isolated Pd atoms on Cu(111) surface for selective hydrogenation of styrene and acetylene,[6] crownjewel-structured Pd/Au nanoparticles with isolated gold atoms as active sites for H2O2 decomposition,[7] FeOx-supported single Pt atoms for hydrogenation of substituted nitroarenes,[8] and atomically dispersed Fe(OH)x on Pt surface for CO oxidation in hydrogen.[9]. 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.
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