Inorganic Chemistry Commons^™

Composition And Rich/Lean Loading-Dependent Density Measurements Of A Series Of Aqueous Ionic Amines For Co2 Capture, Claudia Nguyen

Honors Theses

As climate change worsens worldwide, there is a drive to develop more efficient and sustainable methods to mitigate its impact through carbon capture methods like carbon dioxide scrubbing. Carbon scrubbing directly captures carbon dioxide (CO2) emissions from industries or power plants before they are released into the environment. The CO2 captured can be utilized for various applications or can be stored underground. However, this method faces numerous challenges, such as the degradation of the solvent or corrosion of equipment. As a result, research has expanded to find a better medium to overcome these issues. In particular, aqueous ionic amines (AIA) …

Synthesis And Characterization Of New Inorganic Materials In Different Length Scales; From Nanometer To Micrometer, Kirkland Sheriff

All Dissertations

In this dissertation there are a new series of Preyssler polyoxometalate (POM) crystalline solids created using electrochemical potential. It was found that using electrochemical potential, where nucleation and reduction occur simultaneously, was a convenient method for exploratory synthesis creating new crystalline solids in aqueous solution and at room temperature. The general structure feature reveals that Preyssler POM was covalently linked by various metals from the d and f block including Co²⁺, Ni²⁺, La³⁺, Nd³⁺, Gd³⁺ and Ho³⁺ where the POM was reduced by 2 to 4 electrons. The resulting solids …

Hydrothermal Synthesis Of Single-Crystal Magnetic Oxides, Bhakti Patel

All Dissertations

Multifunctional materials are systems that have two or more properties of interest. Some of these features are polar axes, chirality, magnetic ions, triangular arrangements, and/or magnetically silent building blocks. Various combinations of these properties can result in chiral ferromagnetism, multiferroic magnetoelectric behavior, antiferromagnetism, and quantum spin liquids and spin ices. By tuning these structure-property relations, quantum computing, memory, and sensors may be created. Large single crystals allow for a better understanding of the magnetic behavior of these crystals since they can be oriented in a magnetic field. Inorganic single crystals have a wide range of applications but growing high-quality single …

Structure Disorder And Magnetic Behavior Of An Olivine-Type Cathode Material, Hamida Hassan, Madalynn Marshall

Symposium of Student Scholars

Our research investigates the structure disorder and magnetic behavior of Li(Mn,Fe)PO₄, an olivine-type material relevant for lithium-ion battery applications. Using single-crystal neutron diffraction at Oak Ridge National Laboratory, we precisely determined Mn and Fe occupancy, revealing a 56% Fe and 44% Mn distribution at the atomic 4c site within the Pnma space group. Additionally, we observed significant lithium site vacancies (78% occupied), influencing the material's electrochemical and magnetic properties. The varying Mn/Fe ratio affected spin reorientation transitions, shifting from antiferromagnetic alignment along the a-axis to the b-axis. Our findings provide crucial insights for optimizing olivine-based cathodes, enhancing energy …

Synthesis Of Surface Bound Ligands Through Click Chemistry For A Tethered Catalyst System Towards The Reduction Of Carbon Dioxide, Emma J. Goehner

Departmental Honors & Graduate Capstone Projects

The electrochemical reduction of carbon dioxide (CO₂) offers a promising strategy for reducing excess atmospheric CO₂ by converting it into valuable chemical products. This process can be catalyzed by transition metal complexes, particularly those with extended aromatic ligands such as terpyridines which coordinate with metals in a tridentate fashion. When tethered to an electrode, the terpyridine-metal catalyst complex allows for stable binding and reusability without the need for chemical separation to recover the catalyst. Self-assembled monolayers (SAMs) of (3-bromopropyl) phosphonic acid were formed on copper surfaces, enabling attachment of terpyridine ligands through a click reaction between a …

From Clusters To Frameworks: Synthesis, Engineering, And Application Of Sub-2-Nanometer Nanoclusters And Microporous Covalent Organic Frameworks, Melika E Kenari

Chemistry Theses and Dissertations

In this dissertation, we have investigated the complex interplay of atomic composition, structural modifications in covalent organic frameworks (COFs), and atomic-level designs in bimetallic chiral nanoclusters (NCs). By synthesizing COFs and bimetallic NCs, we elucidated how these elements govern their exceptional catalytic, optical, and electronic properties. Our work demonstrates that precise atomic adjustments, tailored pore engineering in COFs, and the strategic use of chiral ligands in NCs enable fine-tuned reactivity and stability. These advancements were applied to enhance photocatalytic performance, optimize iodine adsorption, and facilitate asymmetric A3 coupling reactions, laying a robust foundation for practical applications and future innovations in …

Salmon As An Ecological Pathway Of Contaminants Into Alaskan Food Webs, Miranda Brohman, Gretchen Roffler, Dimitri G. Giarikos, David Kerstetter, Amy C. Hirons

SECLER Data

Salmon are important fish taxa for humans and animals in hemiboreal and subarctic ecosystems. Trace elements and their marine food web bioaccumulation raises biomagnification and potential human health risk concerns. Sixteen trace element concentrations and their health risk assessments were determined in seven different tissues of two Southeast Alaska salmon species (chum, Oncorhynchus keta and pink, Oncorhynchus gorbuscha). Chum tissues had overall higher trace element concentrations compared to pink, which may be attributed to a difference of diets, generally longer-lived and spending more time in the open ocean. All kidney and liver samples exceeded the tolerable daily intake for …

Effect Of Niobium Dopant On Zno Thin Films Prepared Via The Sol–Gel Spin Coating Method, Kevin Alvin Eswar, Nur Fairuz Rostan, Maryam Mohamad, Rabiatuladawiyah Md Akhir, Rosfayanti Rasmidi, Muliyadi Guliling, Najwa Ezira Azhar, Irmaizatussyehdany Buniyamin, Mohd Firdaus Malek, Mohamad Rusop Mahmood, Husairi Fadzilah Suhaimi, Saifollah Abdullah

Makara Journal of Science

Thin films of zinc oxide (ZnO) and niobium (Nb)-doped ZnO were deposited on a glass substrate using the sol–gel spin coating method. Diethanolamine, isopropyl alcohol, and zinc acetate served as the stabilizers, solvent, and starting ma-terial, respectively. Niobium pentachloride was employed as the dopant source. Energy-dispersive X-ray analysis con-firmed Nb incorporation. Field emission scanning electron microscopy (FESEM), X-ray diffraction (XRD), and ultravio-let–visible spectroscopy (UV–Vis) analyses characterized the morphology, structure, and optics of the films, respective-ly. Both films, comprising nanoparticles, were visible in FESEM. Nb doping reduced the particle size from 44.2 nm to 35.8 nm. The XRD peaks at 31.23°, …

Raw Data For Violations Of Coordination: Exploring Metastable Diborides For Energy Storage, Michael Yeung

Chemistry Department Faculty Scholarship

The ideal aeronautical solid-state fuel should possess a high density (more thrust per Newton’s Third Law), high gravimetric heat of combustion (more energy for less weight), and a high volumetric heat of combustion (more room for mission-critical items). In this work, manganese diboride (MnB2) demonstrates a high density of 5.3 g/cm3, a high gravimetric heat of combustion of 38.30 kJ/g, and the highest volumetric heat of combustion of any known fuel of 202.99 kJ /cm3. When compared to the currently used fuel in Space Shuttle rocket boosters and the Space Launch System, aluminum metal, MnB2 represents a 100% increase in …

Effect Of Pre-Adsorbed Species On High-Pressure Adsorption Of Methane In Zeolite 5a Using Grand Canonical Monte Carlo (Gcmc) Simulations, Kanhamardi Lao, Brooks D. Rabideau

Shelby Hall Graduate Research Forum Posters

Natural gas upgrading, which removes impurities from methane (CH4), is essential for industrial applications, including liquefied natural gas (LNG) production and power generation, as well as for residential use. Removing non-hydrocarbon impurities such as carbon dioxide (CO2), nitrogen (N2), and water vapor (H2O), among others, along with separating heavier hydrocarbon gases from raw natural gas, is required to achieve high- purity methane and prevent pipeline corrosion. Zeolite 5A is a microporous aluminosilicate material with a pore size of approximately 5 Å, containing sodium and calcium cations that balance the framework’s negative charge. Its structure offers high thermal stability and a …

Photocathodes From Aerobic Oxidation Of Tellurorhodamines, Amelia Jellison

Dissertations and Theses

Growing environmental concerns have facilitated an increased need for renewable energy. Solar energy is an excellent source of renewable energy, however current dye-sensitized solar cells are not efficient enough for commercial use. This thesis attempts to create a novel dye-sensitized cathode to increase the efficiency of dye-sensitized solar cells.

Dye-sensitized cathodes could lower the energy level on the cathode and thereby increase the overall efficiency of the solar cell, however until now it has not been attempted. A tellurorhodamine dye with a mesityl ring was chosen as the dye for its ability to aerobically oxidize in the presence of light. …

Interaction Of N-Methylmesoporphyrin Ix With A Hybrid Left-/Right-Handed G-Quadruplex Motif From The Promoter Of The Slc2a1 Gene, Paul Seth , '23, Eric Xing , '26, Andrew D. Hendrickson , '27, Kevin Li , '22, R. Monsen, J. B. Chaires, S. Neidle, Liliya A. Yatsunyk

Chemistry & Biochemistry Faculty Works

Left-handed G-quadruplexes (LHG4s) belong to a class of recently discovered noncanonical DNA structures under the larger umbrella of G-quadruplex DNAs (G4s). The biological relevance of these structures and their ability to be targeted with classical G4 ligands is underexplored. Here, we explore whether the putative LHG4 DNA sequence from the SLC2A1 oncogene promoter maintains its left-handed characteristics upon addition of nucleotides in the 5′- and 3′-direction from its genomic context. We also investigate whether this sequence interacts with a well-established G4 binder, N-methylmesoporphyrin IX (NMM). We employed biophysical and X-ray structural studies to address these questions. Our results indicate that …

Elucidating The Role Of The Secondary Coordination Sphere In Tuning Reactivity Of Synthetic Heme Superoxide Complexes And Other Biologically Relevant Intermediates, Garrett B. Tolbert

All ETDs from UAB

Tryptophan catabolizing human heme-dioxyganase enzymes have been linked to a multitude of disease conditions; therefore, understanding the mechanistic details of their function is of great interest to facilitate the design of effective inhibitors for therapeutic applications. Synthetic model systems have demonstrated dioxygenation of indole moieties, elucidating key mechanistic details of the overall reaction. However, the contrastingly low reactivity of the synthetic heme-superoxide intermediates compared to those of dioxygenase enzymes necessitates the revaluation of these models with direct relevance to their biological mode of action. Herein, we report detailed mechanistic studies on the reactivity of model porphyrin systems with installed non-covalent …

Transition Metal Alkoxide Complexes Synthesis Using Thallium Reagents And Design Of Iron(Ii)-Alkoxide Carbene Complexes And Their Reactivity, Lakshani Wathsala Kulathungage

Wayne State University Dissertations

ABSTRACTTRANSITION METAL ALKOXIDE COMPLEXES SYNTHESIS USING THALLIUM REAGENTS AND DESIGN OF IRON(II)-ALKOXIDE CARBENE COMPLEXES AND THEIR REACTIVITY by LAKSHANI WATHSALA KULATHUNGAGE May 2025 Advisor: Dr. Stanislav Groysman Major: Chemistry (Inorganic) Degree: Doctor of Philosophy

This dissertation focuses on the synthesis and reactivity of transition metal and main group metal alkoxide complexes. The dissertation began with exploring a novel, efficient synthetic route towards transition metal alkoxides involving thallium reagents. A novel dimeric Tl2(OCtBu2Ph)2 complex was synthesized in the reaction between a lithium alkoxide and thallium precursor TlPF6. Tl2(OCtBu2Ph)2 served as a convenient precursor to the formation of old and new transition …

Structural Impacts Of Canonical And Non-Canonical Oligonucleotide Modifications, Deepak Shrestha

Wayne State University Dissertations

Nucleic acids, including DNA (deoxyribonucleic acid) and RNA (ribonucleic acids), are the fundamental building blocks of living organisms. The events that cause modification of DNA/RNA are of interest because they impact the nucleic acid function. Targeting DNA is important for treating diseases such as cancer. Cisplatin (cisPt) is a well-studied drug that targets DNA and blocks replication, but its use is limited by adverse side effects and cellular resistance. Prevoius research addressed some of these challenges through development of platinum analogues such as carboplatin and oxaliplatin. Amino acid-linked platinum analogues (AAPt) are the focus of this thesis work. AAPt complexes …

Direct Partial Oxidation Of Methane To Methanol Using Dioxygen Over Superhydrophobic Modified Catalysts, Oluchukwu V. Igboenyesi

Chemistry & Biochemistry Dissertations - Archive

Various methods for enhancing catalysts activity and productivity in gas to liquid synthesis like Direct Methane to Methanol Conversion and Fischer Tropsch Synthesis have been studied over the years. Some of these methods include the use of promoters, bifunctional catalysts, introducing steam, optimizing reaction conditions and catalyst modification. The choice of catalysts and their modification plays a critical role in improving the overall productivity in gas to liquid synthesis.

This research explored the superhydrophobic modification of heterogenous catalysts used in Direct Methane to Methanol Conversion (DMTM) and Fischer Tropsch Synthesis (FTS). The catalysts were modified with Perfluoro alkyls (PFSMA). The …

Copper-Based Oxide Semiconductors: Transparent Conductors And Ternary Alloys, Abhishek Rawat

Chemistry & Biochemistry Dissertations - Archive

This dissertation explores the strategic design and development of copper-based metal oxide semiconductors for photoelectrochemical (PEC) and optoelectronic applications, with a focus on advancing materials for sustainable energy technologies. Through a comprehensive investigation into copper vanadates and copper oxides, the work aims to understand and enhance charge transport, light-harvesting capabilities, and electronic structure modulation. The research integrates fundamental materials chemistry with applied photoelectrochemical studies to uncover the role of copper's d-electrons in mid-gap state formation, multifunctionality through electronic structure tuning, and the development of low-temperature transparent conductive oxides.

In chapter 2, we have discussed the attributes of copper metavanadate (CuV …

Synthesis Of Novel Schiff Bases And Their Metal Complexes, Ryan J. Lukkarinen

Theses and Dissertations

Presented in this thesis is the synthesis and characterization of multiple thiosemicarbazones and dithiocarbazates, as well as their corresponding metal complexes. Chapter 1 is an introductory chapter exploring the significance and potential applications of this work. Chapter 2 focuses on thiosemicarbazone synthesis and characterization. Chapter 3 describes the synthesis and characterization of dithiocarbazates. Chapter 4 details metal complex synthesis using the previously described ligands. Chapter 5 summarizes the conclusions of the research and future work that may stem from it.

Raw Data For Tailoring High Entropy Borides For Hydrogenation: The Influence Of Crystal Morphology And The Exploration Of Catalytic Pathways, Michael Yeung, Ting Wang

Chemistry Department Faculty Scholarship

The high entropy boride (HEB) Al0.2Nb0.2Pt0.2Ta0.2Ti0.2B2, with its unique crystal structure and high coordination (platinum coordinated to 12 borons), has been shown in our previous work to exhibit exceptional catalytic properties, especially in sulfur-rich environments, where traditional platinum catalysts would succumb to sulfur-poisoning. In this work, we investigate the mechanism of the HEB catalyst, first by comparing the synthesis by flux growth, as previously reported, to an arc melted preparation. It is evident that the aluminum flux growth synthesis encourages the growth of single crystals, with clear and defined crystal facets, whereas the arc melted sample results in poorly defined …

Structure–Property Relationships Mediated By Lone Pairs And Vacancies In Oxychalcogenides: A Combined Experimental And Theoretical Study, Hoa Hn Nguyen

Chemistry & Biochemistry Dissertations - Archive

Structure–property relationships in some oxychalcogenide materials are strongly governed by the interplay between stereochemically active lone pairs and anion vacancy formation. Through a combination of density functional theory (DFT), synchrotron and neutron total scattering and optical characterization, this work elucidates how local symmetry breaking, chemical substitution, and vacancy dynamics influence electronic and optical behavior across several lone pair-containing systems. In crystalline TeO₂, all three polymorphs exhibit wide band gaps with Te⁴⁺ 5s² lone pairs contributing significantly near the valence band edge. Oxygen vacancy formation is thermodynamically favorable and induces asymmetric charge redistribution and enhanced polarizability, supporting …