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Full-Text Articles in Physics
The Structure And Stability Of Cationic Metal-Benzene Clusters, Daniel P. Rabayda
The Structure And Stability Of Cationic Metal-Benzene Clusters, Daniel P. Rabayda
Theses and Dissertations
We have investigated the size-dependent stability and structure of benzene, aluminum-benzene, and vanadium-benzene clusters. Motivated by gas-phase experimental studies performed by an experimental collaborator, we have used first-principle electronic structure methods to identify the structure of Al+(Bz)n, V+(Bz)n, and Bzn clusters. Our studies reveal that cationic aluminum-benzene clusters have a magic number of 13, and that its high stability may be understood by analyzing the structure of the cluster. We also investigate the structure of vanadium-benzene clusters which have a magic number of 2. Here I examine the benzene-cation and benzene-benzene …
Inducing Active Sites In Clusters: Reactivity Of Al13ix- And Al14iy- (X=0-2, Y=2-4) With Methanol, Christopher Powell
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 …