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- Language: English
- Creators: Department of Psychology
- Creators: Ira A. Fulton Schools of Engineering
The electronic structure of eight zinc-centered porphyrin macrocyclic molecules are investigated using density functional theory for ground-state properties, time-dependent density functional theory (TDDFT) for excited states, and Franck-Condon (FC) analysis for further characterization of the UV-vis spectrum. Symmetry breaking was utilized to find the lowest energy of the excited states for many states in the spectra. To confirm the theoretical modeling, the spectroscopic result from zinc phthalocyanine (ZnPc) is used to compare to the TDDFT and FC result. After confirmation of the modeling, five more planar molecules are investigated: zinc tetrabenzoporphyrin (ZnTBP), zinc tetrabenzomonoazaporphyrin (ZnTBMAP), zinc tetrabenzocisdiazaporphyrin (ZnTBcisDAP), zinc tetrabenzotransdiazaporphyrin (ZnTBtransDAP), and zinc tetrabenzotriazaporphyrin (ZnTBTrAP). The two latter molecules are then compared to their phenylated sister molecules: zinc monophenyltetrabenzotriazaporphyrin (ZnMPTBTrAP) and zinc diphenyltetrabenzotransdiazaporphyrin (ZnDPTBtransDAP). The spectroscopic results from the synthesis of ZnMPTBTrAP and ZnDPTBtransDAP are then compared to their theoretical models and non-phenylated pairs. While the Franck-Condon results were not as illuminating for every B-band, the Q-band results were successful in all eight molecules, with a considerable amount of spectral analysis in the range of interest between 300 and 750 nm. The π-π* transitions are evident in the results for all of the Q bands, while satellite vibrations are also visible in the spectra. In particular, this investigation finds that, while ZnPc has a D4h symmetry at ground state, a C4v symmetry is predicted in the excited-state Q band region. The theoretical results for ZnPc found an excitation energy at the Q-band 0-0 transition of 1.88 eV in vacuum, which is in remarkable agreement with published gas-phase spectroscopy, as well as our own results of ZnPc in solution with Tetrahydrofuran that are provided in this paper.
on-cisgender identity, age of awareness, age of social transition, primary caregiver acceptance, secondary caregiver acceptance, and mental health. Hypotheses were partially supported for age of social transition with mental health, parental acceptance with mental health, and awareness-transition gap with parental acceptance. This study investigated under studied concepts of social transition and parental acceptance that appear to have an effect on the mental health of transgender adults.
Methods: A literature review was conducted and SDH screening tool were adapted from known SDH screeners, such as Health Leads, PRAPARE, and CLEAR, to fit to the general population that SHOW serves. Training was also developed to educate the student volunteers who will be conducting the SDH screening and included necessary education about the population and the importance of SDH in general. Training materials include a practice scenario, a resources guide, SMART goal sheet, an introduction to the resource guide, and a process flowchart.
Outcomes: This project consists of different versions of screening tools, a training presentation, activities, handouts, and implementation ideas required to succeed in accurate SDH determination.