The Smallest Thiolated Gold Superatom Complexes
- ORNL
- Georgia Institute of Technology
The superatom concept of metallic cluster valence is based on the electron-shell model as first proposed to explain the special stability of certain metal-atom clusters generated in the gas phase. It accounts for the magic-number series 2, 8, 18, 34, 58,... by shell-closing of the superatom orbitals 1S, 1P, 1D,.... Recently, the superatom-complex concept has been introduced to explain the compositions of high-yield gold-cluster compounds, especially Au{sub 25}(SR){sub 18}{sup -} and Au{sub 102}(SR){sub 44} (with -SR being a thiolate group), corresponding to the magic numbers of 8 and 58, respectively. Surprisingly, no thiolated gold cluster accounting for the first closing (electron count 2) has yet been determined. Structure-bonding considerations lead us to propose Au{sub 12}(SR){sub 9}{sup +} as the superior candidate for the smallest thiolated gold superatom. This cluster features an octahedron core covered by three RS(AuSR){sub 2} motifs. It has a unique C{sub 3} axis, is chiral, and possesses ideal aurophilic interactions and, therefore, should exist in nature. The folding of thiol-rich biomolecules may help us to realize this complex, which may also be prepared from available phosphine-ligated gold clusters.
- Research Organization:
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC)
- DOE Contract Number:
- DE-AC05-00OR22725
- OSTI ID:
- 967129
- Journal Information:
- Journal of Physical Chemistry C, Vol. 113, Issue 40; ISSN 1932-7447
- Country of Publication:
- United States
- Language:
- English
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