Keywords
catalyst
DFT calculations
geometric structure
gold cluster
relativistic approach
Abstract
The structure of symmetrical thiolate cluster Au25(SR)18 becomes asymmetrical after the removal of all bridging S*R groups from the six staple fragments (SR)Au(S*R)Au(SR). This is accompanied by the formation of new Au3 and Au4 active sites.
Funders
state assignment FFSG-2024-0004
124020200104-8
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