Abstract
A new atomic structure of chiral thiolate-protected gold nanocluster Au22(SR)17- is predicted on the basis of the new ligand-binding strategy, namely, redistributing the Au-S "staple" motifs on the well-known Au10 core from previously laboratory-determined Au21(SR)15 crystal structure. Density functional theory calculations show that this structure is very likely the realistic structure for the synthesized Au22(SR)17-.
| Original language | English |
|---|---|
| Pages (from-to) | 2995-2998 |
| Journal | Chemical Communications |
| Volume | 56 |
| Issue number | 20 |
| Online published | 5 Feb 2020 |
| DOIs | |
| Publication status | Published - 11 Mar 2020 |
| Externally published | Yes |
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