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Virginia Commonwealth University

Theses and Dissertations

Reactivity

2011

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Full-Text Articles in Physics

Inducing Active Sites In Clusters: Reactivity Of Al13ix- And Al14iy- (X=0-2, Y=2-4) With Methanol, Christopher Powell May 2011

Inducing Active Sites In Clusters: Reactivity Of Al13ix- And Al14iy- (X=0-2, Y=2-4) With Methanol, Christopher Powell

Theses and Dissertations

Size selective reactivity has been observed in pure aluminum cluster anions as a result of Lewis acid and base pairs. Using this a starting point, the goal of this study has been to explore how reactivity is affected with the addition of one or more ligand, which may induce active sites on the surface of the metal clusters. To study this, a theoretical investigation was undertaken on Al13Ix- and Al14Iy- (x=0-2, y=2-4) and their reactivity with methanol. The hypothesis was that iodine can induce a Lewis base site on the opposite side of the cluster, which may enhance reactivity. In …