Open Access. Powered by Scholars. Published by Universities.®
Articles 1 - 2 of 2
Full-Text Articles in Chemistry
Quantum Crystallography Of Hydronium Cations, Sonjae Sycoria Wallace
Quantum Crystallography Of Hydronium Cations, Sonjae Sycoria Wallace
Dissertations, Theses, and Capstone Projects
Cationic hydronium clusters of the form [HaOb]^c,(c>0), have been investigated. After investigating over 2000 crystal structures containing hydronium cations found in the Cambridge Structural Database. The hydronium cationic compounds that were most unusual, mischaracterized, or those of apparent aggregates, were investigated further by geometry optimization and in some cases with the Quantum Theory of Atoms in Molecules (QTAIM). The results of our investigations yielded the first reports of stable conformations of cyclic dihydronium cationic clusters. In a second investigation we reported the first theoretically confirmed transition state of a H7O3+conformer captured within a crystal. A third product from our …
Variable Pressure Nuclear Magnetic Resonance Studies Of Ionic Liquids And Electrophoretic Probe Design, Armando Julio Rua
Variable Pressure Nuclear Magnetic Resonance Studies Of Ionic Liquids And Electrophoretic Probe Design, Armando Julio Rua
Dissertations, Theses, and Capstone Projects
Energy storage materials play a key role in, efficient, clean, and versatile use of energy, and are crucial for the exploitation of renewable energy. The improve efficiency of energy use stimulates the development of energy storage such as batteries or super capacitors, toward higher power and energy density, which significantly depends upon the advancement of new materials used in these devices. The new materials need better understanding and description in the electrochemical properties. Nuclear Magnetic Resonance (NMR) has been an important tool in the characterization of ionic liquids and solids. The measurements of the relaxation times and the diffusion coefficient …