Bimolecular recombination and complete photocurrent decay in metallophthalocyanine thin films

<p>The overall goal of this project is to enhance the physical accuracy of individual models in macromolecular NMR (Nuclear Magnetic Resonance) structures and the realism of variation within NMR ensembles of models, while improving agreement with the experimental data. A secondary overall goal is to combine synergistically the best aspects of NMR and crystallographic methodologies to better illuminate the underlying joint molecular reality. This is accomplished by using the powerful method of all-atom contact analysis (describing detailed sterics between atoms, including hydrogens); new graphical representations and interactive tools in 3D and virtual reality; and structural bioinformatics approaches to the expanded and enhanced data now available.</p> <p> The resulting better descriptions of macromolecular structure and its dynamic variation enhances the effectiveness of the many biomedical applications that depend on detailed molecular structure, such as mutational analysis, homology modeling, molecular simulations, protein design, and drug design.</p> / Dissertation

Thesis (Ph.D.)--Mississippi State University. Department of Mechanical Engineering. / Title from title screen. Includes bibliographical references.

Doctor of Philosophy / Department of Physics / Brett D. DePaola / In many experiments involving a magneto-optical trap (MOT) it is of great importance to know the fraction of atoms left in an excited state due to the trapping process. Generally speaking, researchers have had to use overly simplistic and untested models to estimate this fraction. In this work, the excited fraction of 87Rb atoms in a MOT is measured using a model-free approach. A simple model is fit to the fractions which were obtained for a range of MOT parameters. Using the results of this work, the excited fraction of 87Rb atoms trapped in a MOT can be accurately estimated with knowledge of only the trapping laser intensity and detuning. The results are only weakly dependent on other MOT parameters.

Doctor of Philosophy / Department of Physics / Brett D. DePaola / Many people in the science community are interested in the prospect of cold molecules for such applications as quantum computing and molecular Bose-Einstein condensates. Current methods of production fall short of the requirements for such projects. Photo association is a promising technique for forming cold molecules, but is currently facing significant obstacles. By understanding the photo association process and utilizing higher excited states, it is hoped that cold molecules can be formed from more easily produced cold atoms. Photo associative Ionization (PAI) is presented as a means to study excited state molecular dynamics at large internuclear separation, including photo association. This thesis presents a number of techniques for studying PAI in cold rubidium and a number of results obtained with the techniques. Excitation pathways for the process are explored in both narrow linewidth (MHz) and ultrafast (fs), large bandwidth (20 nm) domains.

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This dissertation consists of three major studies. The first study, described in Chapter 3, focuses on the experimental work we carried out; experimental study of the electronic transition dipole moment matrix elements (TDMM) for the and electronic transitions of the sodium dimer molecule. Here we obtained the electronic transition dipole moments through Autler-Townes and resolved fluorescence spectroscopy and compared them to the theory. The second study, described in Chapter 4, is on sodium dimer ion-pair states. In this work, we calculated the radiative lifetimes and electronic transition dipole moments between Na2 ion-pair states ( , , , ) and state. This study was published in 2015. The last study, described in Chapter 5, is the total lifetime (bound-bound plus bound-free) and transition dipole moment calculations of the ion-pair electronic states, , of the lithium dimer molecule. / Physics

Doctor of Philosophy / Department of Physics / Kristan L. Corwin / Current portable near-infrared optical frequency references offer modest accuracy and instability compared to laboratory references. Low pressure reference cells are necessary to realize features narrower than the Doppler broadened overtone transitions, and most setups to date have occurred in free-space. Hollow-core photonic crystal fibers offer a potential alternative to free-space setups through their small cores (~10’s of µm) and low-loss guidance. Furthermore, HC-PCF can be made into fiber cells that could be directly integrated into existing telecommunications networks. Efforts were made to fabricate these fiber cells with a low pressure of molecules trapped inside, but this has proven to be quite challenging. Therefore, investigation of these fibers is conducted by placing the ends of the fiber inside vacuum chambers loaded with acetylene (12C2H2). The linewidths of several P branch transitions (near 1.5 µm) are investigated as a function of acetylene pressure and optical pump power in three different HC-PCFs. Frequency modulation spectroscopy is then implemented on the acetylene-filled HC-PCF to generate sub-Doppler dispersion features that are useful for frequency stabilization using standard servo electronics. Instability and accuracy of this near-IR optical reference were then determined by analysis of heterodyne experiments conducted with frequency combs referenced to a GPS-disciplined rubidium oscillator. The instability and accuracy of this HC-PCF reference are within an order of magnitude of free-space experiments, as expected based on the ratio of linewidths observed in the two experiments. Therefore, HC-PCF has been shown to be suitable for potential frequency references. Further work is necessary to fabricate gas fiber cells with high optical transmission and low molecular contamination.