au20: a tetrahedral cluster

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2003 Structure Structure C 1000 Au 20 : A Tetrahedral Cluster. — As revealed by PES Au 20 clusters exhibit an extreme- ly large HOMO—LUMO gap even greater than that of C 60 and an electron affinity com- parable with that of C 60 , suggesting that Au 20 clusters should be highly stable and chem- ically inert. Relativistic density functional calculations predict that Au 20 possesses a tet- rahedral geometry, similar to that of a fragment of the bulk face-centered cubic Au crys- tal. Au 20 is a unique molecule with atomic packing similar to that of bulk gold but with very different properties. — (LI, J.; LI, X.; ZHAI, H.-J.; WANG*, L.-S.; Science (Washington, D. C.) 299 (2003) 5608, 864-867; Environ. Mol. Sci. Lab., Pac. Northwest Natl. Lab., Richland, WA 99352, USA; Eng.) — W. Pewestorf 20- 001

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Page 1: Au20: A Tetrahedral Cluster

2003 Structure

StructureC 1000 Au20: A Tetrahedral Cluster. — As revealed by PES Au20 clusters exhibit an extreme-

ly large HOMO—LUMO gap even greater than that of C60 and an electron affinity com-parable with that of C60, suggesting that Au20 clusters should be highly stable and chem-ically inert. Relativistic density functional calculations predict that Au20 possesses a tet-rahedral geometry, similar to that of a fragment of the bulk face-centered cubic Au crys-tal. Au20 is a unique molecule with atomic packing similar to that of bulk gold but with very different properties. — (LI, J.; LI, X.; ZHAI, H.-J.; WANG*, L.-S.; Science (Washington, D. C.) 299 (2003) 5608, 864-867; Environ. Mol. Sci. Lab., Pac. Northwest Natl. Lab., Richland, WA 99352, USA; Eng.) — W. Pewestorf

20- 001