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Quantum Chemical Studies For The Engineering Of Metal Organic Materials, Hector Javier Rivera Jacquez
Quantum Chemical Studies For The Engineering Of Metal Organic Materials, Hector Javier Rivera Jacquez
Electronic Theses and Dissertations
Metal Organic Materials (MOM) are composed of transition metal ions as connectors and organic ligands as linkers. MOMs have been found to have high porosity, catalytic, and optical properties. Here we study the gas adsorption, color change, and non-linear optical properties of MOMs. These properties can be predicted using theoretical methods, and the results may provide experimentalists with guidance for rational design and engineering of novel MOMs. The theory levels used include semi-empirical quantum mechanical calculations with the PM7 Hamiltonian and, Density Functional Theory (DFT) to predict the geometry and electronic structure of the ground state, and Time Dependent DFT …
Self-Assembly And Photophysics Of Selected Organic Materials And Two-Photon Bioimaging With Profluorescent Nitroxides, Polyelectrolyte Nanoparticles, And Squaraine Probes, Hyo Yang Ahn
Electronic Theses and Dissertations
Two-photon absorption and upconverted fluorescence has been utilized in a variety of applications in pure science and engineering. Multiphoton-based techniques were used in this research in order to understand photophysical and chemical characteristics of several fluorescent dyes and to demonstrate some of their key applications. Two-photon fluorescence microscopy (2PFM) has become a powerful technique in bio-photonics for non-invasive imaging in the near-infrared (NIR) region (700~1000 nm) that often results in less photobleaching. In Chapter 1, there is a brief introduction to fluorescence, examples of fluorescence materials, and a discussion of the advantages of two-photon absorption. 2PFM imaging was utilized in …
The Study Of Three Different Layered Structures As Model Systems For Hydrogen Storage Materials, Muzaffer Tonguç Öztek
The Study Of Three Different Layered Structures As Model Systems For Hydrogen Storage Materials, Muzaffer Tonguç Öztek
Electronic Theses and Dissertations
The strength and success of the hydrogen economy relies heavily on the storage of hydrogen. Storage systems in which hydrogen is sequestered in a solid material have been shown to be advantageous over storage of hydrogen as a liquid or compressed gas. Many different types of materials have been investigated, yet the desired capacity and uptake/release characteristics required for implementation have not been reached. In this work, porphyrin aggregates were investigated as a new type of material for hydrogen storage. The building blocks of the aggregates are porphyrin molecules that are planar and can assume a face to face arrangement …