UNT Libraries - 9 Matching Results

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Synthesis and Characterization of Triphenylene-BODIPY Paddle Wheel Conjugates for Ultra-Fast Light Induced Charge Separation Yielding High-Energy Charge-Separated States

Description: In the development of covalent organic frameworks (COFs), often the scaffold linkers are assumed to be electro- and photoinactive, and this was also to be the case for 2,3,6,7,10,11-hexahydroxytriphenylene, a tritopic linker. However, as demonstrated in the present study, the reaction product of this linker, hexaoxatriphenylene, is electron rich and when connected to a suitable photosensitizer engages itself in an efficient excited-state charge separation process. In the present study, we have … more
Date: May 2019
Creator: Cantu, Robert
Item Type: Refine your search to only Thesis or Dissertation
open access

Computational and Experimental Studies of the Photoluminescence, Reactivity and Structural Properties of d10 and d8 Metal Complexes

Description: Computational chemistry has gained interest as a characterization tool to predict photoluminescence, reactivity and structural properties of organic and transition metal complexes. With the rise of methods including relativity, these studies have been expanded to the accurate modeling of luminescence spectra of complexes with considerable spin-orbit splitting due to heavy metal centers as well as the reaction pathways for these complexes to produce natural products such as hydrogen gas. These a… more
Date: May 2019
Creator: Otten, Brooke Michelle
Item Type: Refine your search to only Thesis or Dissertation
open access

Exploration of Transition Metal-Containing Catalytic Cycles via Computational Methods

Description: Styrene production by a (FlDAB)PdII(TFA)(η2-C2H4) complex was modeled using density functional theory (DFT). Benzene C-H activation by this complex was studied via five mechanisms: oxidative addition/reductive elimination, sigma-bond metathesis, concerted metalation deprotonation (CMD), CMD activation of ethylene, and benzene substitution of ethylene followed by CMD of the ligated benzene. Calculations provided evidence that conversion of benzene and ethylene to styrene was initiated by the fif… more
Date: May 2019
Creator: Ceylan, Yavuz Selim
Item Type: Refine your search to only Thesis or Dissertation
open access

Spectral, Electrochemical, and Solar Cell Studies of Peripheral Modified Carboxy Zinc Porphyrins

Description: Six peripherally meso-modified Zn (II) porphyrin sensitizer dyes are designed and their J-V performance in dye sensitized solar cell (DSSC) evaluated. Electron-donating groups including phenothiazine, carbazole and pyrene are used to modify the porphyrin macrocycle at the meso-carbon position(s). To compare the effect of donor substitution on the performance of the cells in terms of short circuit current (Jsc), light harvesting efficiency (LHE) and power conversion efficiency (η), two sets of s… more
Date: May 2019
Creator: Alsaleh, Ajyal Zaki
Item Type: Refine your search to only Thesis or Dissertation
open access

Synthesis, Characterization, and Reactivity of Prochiral Ruthenium Clusters and Bimetallic Rhenium Complexes with an Unsymmetrical Diphosphine and Hard-Soft Donor Ligands

Description: The reaction of [BrRe(CO)₄]₂ with 2-(diphenylphosphino)pyridine (PN) and 6-(diphenylphosphino)-2-formylpyridine (PON) was investigated. The reactions were regiospecific and exclusively produced the phosphorus-coordinated products, BrRe(CO)₄(κᵖ-PN) and BrRe(CO)₄(κᴾ-PON). The kinetics for the chelate ring closure (κᴾ→ κᴾᴺ) in BrRe(CO)₄(κᴾ-PN) were confirmed to occur by dissociative CO loss. The reaction of [BrRe(CO)₄]₂ with 2-(diphenylphosphino)pyridine (PN) was modeled computationally by DFT cal… more
Date: August 2019
Creator: Mayberry, Darrell D.
Item Type: Refine your search to only Thesis or Dissertation
open access

Semiconducting Aromatic Boron Carbide Films for Neutron Detection and Photovoltaic Applications

Description: Semiconducting aromatic-boron carbide composite/alloyed films formed by plasma enhanced chemical vapor deposition from carborane and aromatic precursors have been demonstrated to be excellent detectors for thermal neutrons because of the large 10B cross section. The electronic properties of these films derived from XPS show that the properties of boron carbide can be tuned by co-deposition of aromatic compounds and carborane. Aromatic doping results in narrower indirect band gaps (1.1 - 1.7 eV … more
Date: December 2019
Creator: Oyelade, Adeola O
Item Type: Refine your search to only Thesis or Dissertation
open access

Synthesis and Characterization of β-Functionalized π-Extended Porphyrins

Description: Porphyrins with extended π-electronic networks are promising candidates for a wide range of applications from medicine to nanotechnology owing to their unique optical and electronic properties. This dissertation is focused on synthesis, characterization and application of β-functionalized π-extended porphyrins. This dissertation is comprised of seven chapters. Chapter 1 focuses on the importance and objective of this work. Chapter 2 gives brief introduction to porphyrins and π-extended porphyri… more
Date: December 2019
Creator: Hu, Yi
Item Type: Refine your search to only Thesis or Dissertation
open access

Spectral, Electrochemical, Electron Transfer, and Photoelectrochemical Studies of Tetrapyrrole Derived Supramolecular Systems

Description: Energy- and electron-transfer processes in molecular and supramolecular donor-acceptor systems are of current interest in order to develop light-energy harvesting systems through designing covalently linked donor-acceptor systems or utilizing self-assembled donor-acceptor systems. The research presented in this dissertation deals with the electrochemical, anion binding, and photochemical studies of various oxoporphyrinogen (OxPs), porphyrin, corrole, and phenothiazine systems. The first chapter… more
Date: December 2019
Creator: Webre, Whitney Ann
Item Type: Refine your search to only Thesis or Dissertation
open access

Development of an Optical Carbon Dioxide Sensor and Modeling of Metal-Metal Interactions for Sensor Applications

Description: An investigation of luminescent sensing has been presented. Neutral Red, a common pH luminescent sensor, was shown to be an effective carbon dioxide sensor for the first time. Sensing experiments were performed both through fluorometric and fluorescent microscopy studies, giving rise to the possibility of carbon dioxide sensing for biological applications. Neutral Red was benchmarked against the well-established carbon dioxide sensor Pyranine (8-hydroxypyrene-1,3,6-trisulfonic acid trisodium sa… more
Date: December 2019
Creator: Ericson, Megan
Item Type: Refine your search to only Thesis or Dissertation
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