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Donor-Acceptor Artificial Photosynthetic Systems: Ultrafast Energy and Electron Transfer

Description: Mother nature has laid out a beautiful blueprint to capture sunlight and convert to usable form of energy. Inspired by nature, donor-acceptor systems are predominantly studied for their light harvesting applications. This dissertation explores new donor-acceptor systems by studying their photochemical properties useful in building artificial photosynthetic systems. The systems studied are divided into phthalocyanine-porphyrin-fullerene-based, perylenediimide-based, and aluminum porphyrin-based … more
Date: December 2021
Creator: Seetharaman, Sairaman
Partner: UNT Libraries
open access

Linearly-Annulated, Functionalized, β,β'-π-Extended Porphyrins

Description: Benzannulation to porphyrin 2,3 positions has previously been accomplished using various methodologies in the past century, yet there remain limited methodologies to both annulate to the porphyrin periphery and add functional moieties that can then be derivatized for diverse applications. This dissertation describes the development of synthetic routes and characterization of a variety of linearly-annulated, functionalized, β,β'-π-extended porphyrins. There are five chapters in this dissertation… more
Date: December 2021
Creator: Moss, Austen Edmond
Partner: UNT Libraries
open access

Computational Studies of the Photophysical, Structural, and Catalytic Properties of Complex Chemical Systems

Description: Computational chemistry employs mathematical algorithms, statistics, and large databases to integrate chemical theory with experimental observations. Computational modeling allows us to make predictions concerning molecular properties and reactivity that ultimately lead to accurate assessment of the most important fundamental properties of chemical systems. Advances in theoretical techniques and computer power have dramatically increased the usefulness and importance of computational chemistry … more
Date: May 2021
Creator: Melancon, Kortney
Partner: UNT Libraries
open access

The Abraham Solvation Model Used for Prediction of Solvent-Solute Interactions and New Methods for Updating Parameters

Description: The Abraham solvation model (ABSM) is an experimentally derived predictive model used to help predict various solute properties. This work covers various uses for the ABSM including predicting molar enthalpies of vaporization, predicting solvent coefficients for two new solvents (2,2,5,5-tetramethyloxolane and diethyl carbonate), predicting values for multiple new ionic liquids (ILs). This work also introduces a novel method for updating IL ABSM parameters by updating cation- and anion-specific… more
Date: May 2021
Creator: Churchill, Brittani N.
Partner: UNT Libraries
open access

Theoretical Thermochemistry of Tungsten Including σ and π Bond Components

Description: Computational chemistry examination of the bond dissociation enthalpies of tungsten and main group elements. Includes quantification and calibration of theoretical methods to address the question of bond strengths including component σ and π molecular bonds.
Date: August 2021
Creator: Moulder, Catherine Anne
Partner: UNT Libraries

Pressure Controlled Topochemical Polymerization in Two-Dimensional Hybrid Perovskite

Description: Mechanical pressure offers unique control over the energy landscape of chemical reactions, opening up pathways that are inaccessible through conventional thermochemistry. We hypothesize that the reduced dimensionality defines the conformational space of the high-pressure reaction, giving rise to new selectivity that is unavailable in 3D systems. Here, we demonstrate this concept through the pressure-controlled topochemical polymerization of the diacetylene molecule deca‐3,5‐diyn‐1‐amine (DDA) i… more
Date: December 2021
Creator: Abu-Amara, Lama Marwan
Partner: UNT Libraries

Corrosion Mechanism and Prevention of Wire Bonded Device in Microelectronic Manufacturing and Spectroscopic Investigation of Copper Etch Chemical Equilibria for High Density Interconnect Application

Description: In the first part of this dissertation work, Al bond pad corrosion behavior was investigated in the presence of common industrial contaminants such as chloride (Cl-) and fluoride (F-). Al corrosion while in direct contact with Cu displayed rapid hydrogen (H2) gas evolution and dendrite propagation. In contrast, Al without bimetallic contact showed only minor surface roughening. This observed difference in the corrosion mechanism between Cl- and F- is attributed to the solubility of the corrosio… more
Date: December 2021
Creator: Ashok Kumar, Goutham Issac
Partner: UNT Libraries
open access

Instrumental Development and Implementation of Portable Membrane Inlet Mass Spectrometry for Homeland Security and Environmental Applications

Description: A rapidly growing topic of great interest is the adaptation of benchtop analytical instrumentation for use in outdoor harsh environments. Some of the areas that stand to benefit from field instrumentation development include government agencies involved with the preservation of the environment and institutions responsible for the safety of the general public. Detection systems are at the forefront of the miniaturization movement as the interest in analyte identification and quantitation appears… more
Date: December 2021
Creator: Anguiano Virgen, Camila
Partner: UNT Libraries
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