Open Access. Powered by Scholars. Published by Universities.®
Physical Sciences and Mathematics Commons™
Open Access. Powered by Scholars. Published by Universities.®
Articles 1 - 5 of 5
Full-Text Articles in Physical Sciences and Mathematics
Ligand Effects On Electronic, Magnetic, And Catalytic Properties Of Clusters And Cluster Assemblies, Dinesh Bista 9288522
Ligand Effects On Electronic, Magnetic, And Catalytic Properties Of Clusters And Cluster Assemblies, Dinesh Bista 9288522
Theses and Dissertations
Ligands commonly protect metallic clusters against reacting with outside reactants. However, ligands can also be used to control the redox properties enabling the formation of super donors/acceptors that can donate/accept multiple electrons. This thesis focuses on how the ligands can be used to control the electronic and magnetic features of clusters and ligand stabilized cluster-based assemblies, leading to nano pn junctions with directed transport, the possibility of light-harvesting, and catalysts for cross-coupling reactions. The thesis addresses three distinct classes of clusters and their applications. The first class of cluster “metal chalcogen clusters” is the central idea of the thesis focused …
Investigations Into Structure And Properties Of Atomically-Precise Transition Metal-Chalcogenide Clusters Of Crte And Ligated Cr6te8(Pet3)6, Anthony F. Pedicini
Investigations Into Structure And Properties Of Atomically-Precise Transition Metal-Chalcogenide Clusters Of Crte And Ligated Cr6te8(Pet3)6, Anthony F. Pedicini
Theses and Dissertations
The complete understanding of a clusters electronic structure, the primary mechanisms for its properties and stabilization is necessary in order to functionalize them for use as building blocks within novel materials. First principle theoretical studies have been carried out upon the electronic properties of CrxTey (x = 1 – 6, y = 0 – 8, x + y ≤ 14), as well as for the larger triethylphosphine (PEt3) ligated cluster system of Cr6Te8(PEt3)6. Together, we aim to use the information garnered from the smaller clusters to address …
Electronic Structure And Stability Of Ligated Superatoms And Bimetallic Clusters, William H. Blades
Electronic Structure And Stability Of Ligated Superatoms And Bimetallic Clusters, William H. Blades
Theses and Dissertations
Quantum confinement in small metal clusters leads to a bunching of states into electronic shells reminiscent of shells in atoms. The addition of ligands can tune the valence electron count and electron distribution in metal clusters. A combined experimental and theoretical study of the reactivity of methanol with AlnIm− clusters reveals that ligands can enhance the stability of clusters. In some cases the electronegative ligand may perturb the charge density of the metallic core generating active sites that can lead to the etching of the cluster. Also, an investigation is conducted to understand how the bonding …
Electronic Principles Governing The Stability And Reactivity Of Ligated Metal And Silicon Encapsulated Transition Metal Clusters, Marissa B. Abreu
Electronic Principles Governing The Stability And Reactivity Of Ligated Metal And Silicon Encapsulated Transition Metal Clusters, Marissa B. Abreu
Theses and Dissertations
A thorough understanding of the underlying electronic principles guiding the stability and reactivity of clusters has direct implications for the identification of stable clusters for incorporation into clusters-assembled materials with tunable properties. This work explores the electronic principles governing the stability and reactivity of two types of clusters: ligated metal clusters and silicon encapsulated transition metal clusters. In the first case, the reactivity of iodine-protected aluminum clusters, Al13Ix- (x=0-4) and Al14Iy- (y-0-5), with the protic species methanol was studied. The symmetrical ground states of Al13Ix- showed no reactivity …
Structures And Reactivities Of Ionized And Metal Cation-Containing Acetylene Clusters, Paul O. Momoh
Structures And Reactivities Of Ionized And Metal Cation-Containing Acetylene Clusters, Paul O. Momoh
Theses and Dissertations
In this dissertation, the ion mobility technique is used to determine the structures of small acetylene cluster ions, (C2H2)1-3+, mass-selected from the largest ever reported ionized acetylene clusters. The technique is also used to characterize the reaction of acetylene clusters with water in an effort to elucidate thermochemistry and kinetics of some interesting ion-molecule reactions suspected to occur in interstellar clouds and other interplanetary bodies.A combination of ion mobility measurements, collision induced dissociation (CID), and theoretical calculations are used to provide the most conclusive evidence for the frequently hypothesized trimerization of ionized acetylene to form the benzene ion. The results …