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Full-Text Articles in Physical Chemistry
How Oxygen-Binding Affects Structural Evolution Of Even-Sized Gold Anion Clusters. (Size Range 20 To 34), David Brunken-Deibert
How Oxygen-Binding Affects Structural Evolution Of Even-Sized Gold Anion Clusters. (Size Range 20 To 34), David Brunken-Deibert
Department of Chemistry: Dissertations, Theses, and Student Research
We report a joint anion photoelectron spectroscopy (PES) and theoretical study to investigate the effect of O2-binding on the mid-sized even-numbered gold clusters, Aun− (n = 20−34), a special size region of bare gold clusters that entail rich forms of structural evolution and transformation. Specifically, within this size range, bare Au20− is a highly-symmetric pyramidal cluster, bare Au21-25− are flat-planar or hollow-tubular clusters, bare Au26− is the smallest core-shell gold cluster, while bare Au34− is a magic-number/fluxional core-shell cluster with the high-symmetry tetrahedral Au4 core. In light of the strong …
Global Minimum Search And Carbon Monoxide Binding Studies Of Novel Gold Nanoclusters, Navneet S. Khetrapal
Global Minimum Search And Carbon Monoxide Binding Studies Of Novel Gold Nanoclusters, Navneet S. Khetrapal
Department of Chemistry: Dissertations, Theses, and Student Research
In bulk form, gold is a well-known noble metal. However, gold nanoparticles exhibit remarkable catalytic behavior towards various types of chemical reactions. These catalytic properties are highly dependent upon the size and shape and therefore knowledge of the geometries of these nanoparticles is of prime importance. The main goal of this dissertation is, therefore, going to be towards the elucidation of the structures of novel gold clusters using a combined experimental and theoretical approach and subsequent modeling to explore the binding of simple substrates like carbon monoxide with gold clusters. The theoretical method used to study the structural evolution of …