Theoretical Characterization of Cyclic Thiolated Gold Clusters.

The density functional theory is used to explore structural, energetic, vibrational, and optical properties of thiolated gold clusters (MeSAu) with x = 2-12. Clusters up to (MeSAu) adopt Au—S ring conformations, and crownilke structures are formed for larger sizes. The clusters are essentially polym...

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Publicado en:	Journal of the American Chemical Society Vol. 128; no. 31; pp. 10268 - 10276
Autores principales:	Grönbeck, Henrik, Walter, Michael, Hàkkinen, Hannu
Formato:	Artículo
Publicado:	American Chemical Society 8/9/2006
Materias:	Density functionals Microclusters Ligands (Chemistry) Tetramers (Oligomers) Benzene Ligand binding (Biochemistry)
Acceso en línea:	Ver este registro en EBSCOhost