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Articles 1 - 14 of 14
Full-Text Articles in Physical Sciences and Mathematics
First-Principles Study Of Mxene Properties With Varying Hydrofluoric Acid Concentration, Yi Zhi Chu, Megan Hoover, Patrick Ward, Kah Chun Lau
First-Principles Study Of Mxene Properties With Varying Hydrofluoric Acid Concentration, Yi Zhi Chu, Megan Hoover, Patrick Ward, Kah Chun Lau
Michigan Tech Publications, Part 2
With varying hydrofluoric acid (HF) concentrations under three etching conditions, we presented a comparative study of the effects of both the ordered and randomly ternary mixed terminated Ti3C2Tx surfaces with a wide variation of O/OH/F stoichiometry on the thermodynamic stability and electronic properties. Regardless of the HF concentration, an OH-rich surface is found to be thermodynamically stable and the electrical conductivity of Ti3C2Tx is substantially affected by the OH concentration. The charge density difference and electron localization function demonstrated a significant electron localization at the hydroxyl group on the O/OH/F mixed terminated surface, which could yield a locally induced dipole …
Amination Of 2-Bromo-6-Methylaminopyridine, Matthew H. Elterman
Amination Of 2-Bromo-6-Methylaminopyridine, Matthew H. Elterman
Honors College Theses
Extended metal atom chains (EMACs) represent molecular structures comprising a linear arrangement of metal ions, accompanied by supporting ligands. These compounds possess intriguing properties, yet remain understudied, drawing interest from diverse fields such as physics. However, synthesizing these multimetallic complexes poses significant challenges due to their intricate nature and specificity. Bridging ligands like silyl aminopyridine (SAP) and dipyridyl amine (DAP) have been utilized successfully to support EMACs, with SAP's application in this context being limited to a single published case, highlighting the urgent need for stabilization. This project aims to address this challenge through the synthesis of a novel scaffolded …
Hydrothermal Synthesis Of First-Row Transition Metal Polyanions Towards The Design Of Frustrated Magnetic Materials, Megan Smart
Hydrothermal Synthesis Of First-Row Transition Metal Polyanions Towards The Design Of Frustrated Magnetic Materials, Megan Smart
All Dissertations
Novel modern materials are constantly being discovered as humanity seeks constantly better improvement to the optics and electronics around us, from lasers used in medical therapies to the magnets and supercomputing chips in our phones. Inorganic oxides commonly draw inspiration from naturally occurring minerals to template new discoveries through substitution of similarly behaving elements with the goal of inducing certain desired properties, such as ferroelectricity or creating the elusive quantum spin liquid. While many minerals are silicates, its periodic table neighbor germanium(IV) has a rich and under-explored crystal chemistry that could contain many new structures and magnetic materials. Another common …
Mechanism And Kinetics Of Photocatalytic Partial Oxidation Of Methane On Single Site Mox Reaction Centers., Clint Evrard
Mechanism And Kinetics Of Photocatalytic Partial Oxidation Of Methane On Single Site Mox Reaction Centers., Clint Evrard
Electronic Theses and Dissertations
Single-site transition-metal doped photocatalysts are a class of materials in which small transition-metal oxide clusters are embedded onto the surface of zeolites, graphene, and bulk semiconductors. Experimental findings demonstrate that VO4, CrO4, NbO4, and WO4 clusters embedded on an MCM- 41 mesoporous amorphous SiO2 are effective photocatalysts for oxidative reactions. The selective direct partial oxidation of methane (POM) to form methanol is essential for efficiently utilizing natural gas. Photocatalytic methane oxidation has advantages over traditional thermal catalysis as it can be deployed at small-scale facilities to reduce methane release into the atmosphere due to flaring potentially. Our work has aimed …
A Comparative Study Of Two Nickel-Based Suzuki-Miyaura Hybrid Molecular Catalysts, Mollie Morrow
A Comparative Study Of Two Nickel-Based Suzuki-Miyaura Hybrid Molecular Catalysts, Mollie Morrow
Senior Theses
Two molecular nickel-based catalysts, (2,2’bipyridine-4,4’-carboxylic acid)nickel(II) chloride and (2,2'-bipyridine-4,4'-diamidopropylsilatrane)nickel(II) chloride, were synthesized and subsequently attached to a solid support in the form of amorphous silicon dioxide to create two hybrid molecular/heterogeneous catalysts. Characterization using ICP-MS and ATR-FTIR confirms that both catalysts are bonded to the SiO2 support. The catalysts were both able to catalyze a Suzuki-Miyarua cross-coupling which their molecular counterparts were unable to; the carboxylate catalyst was able to achieve yields of 10% and the silatrane catalyst achieved yields of up to 50%. Post-reaction analysis indicated that while some catalyst desorption occurred in both complexes, active catalytic species …
Dirhenium Compounds Containing The Diphosphine Ligands Ph2pch2pph2, Ph2pch(Cn)Pph2, Or Ph2pch(Ch3)Pph2: A Comparative Study, Hannah C. Arthur
Dirhenium Compounds Containing The Diphosphine Ligands Ph2pch2pph2, Ph2pch(Cn)Pph2, Or Ph2pch(Ch3)Pph2: A Comparative Study, Hannah C. Arthur
Undergraduate Honors Theses
When M2L10 complexes containing two rhenium(III) atoms in a quadruple bond react with an excess of the diphosphine ligand Ph2PCH2PPh2, the bond order decreases, and the rhenium is reduced to rhenium(II). When two diphosphine ligands are bonded to the dirhenium center, they can adopt a trans-trans, trans-cis, or cis-cis configuration. NMR spectra of compounds that adopt the cis-cis arrangement show unusually large downfield shifts for one of the bridgehead methylene hydrogens (P-CH2-P). To understand the unusual chemical shift, the hydrogens first have to be assigned. The strategy for …
A Comparison Of The Oxidative Addition Chemistry Of Tetrathiocins To P- And D- Block Elements, Lara Watanabe
A Comparison Of The Oxidative Addition Chemistry Of Tetrathiocins To P- And D- Block Elements, Lara Watanabe
Electronic Theses and Dissertations
This thesis describes the oxidative addition of 1,2,5,6-tetrathiocins to low valent transition metals and p-block elements. Chapter 1 provides a literature review of tetrathiocin reactivity and the related dithiete chemistry for both the p- and d-block elements. Chapter 2 describes the synthesis of a library of tetrathiocins used extensively through the rest of this thesis alongside the synthesis of a series of group 10 dithiolate complexes through the oxidative addition of tetrathiocins to M2dba3 (M = Pd or Pt) in the presence of the chelating phosphines dppe and dppf to generate complexes of general formula M(dt)(dppe) and M(dt)(dppf) [M = …
The Utilization Of Metal-Ligand Cooperativity For Electrocatalytic Reduction And Catalytic Hydration., Steven Cronin
The Utilization Of Metal-Ligand Cooperativity For Electrocatalytic Reduction And Catalytic Hydration., Steven Cronin
Electronic Theses and Dissertations
Small molecules are building blocks for developing larger materials. These small molecules could be extremely small, such as hydrogen, or larger such as a nitrile, but their impact on the global economy is massive. This dissertation describes a catalyst for three reactions involving small molecules; 1) the hydrogen evolution reaction, 2) the carbon dioxide reduction reaction, 3) nitrile hydration. The catalyst Zn(DMTH) (DMTH = diacetyl-2-(4-methyl-3-thiosemicarbazonate)-3-(2-pyridinehydrazonato)) use “metal-ligand cooperativity” between the Lewis acid Zn(II) metal ion and an uncoordinated Lewis base nitrogen in the ligand framework to activate substrates. The complex has been analyzed via NMR, UV/Vis, single crystal X-ray crystallography, …
Towards Trigonal Prismatic Hexanuclear Copper Complexes For Catalytic Water Oxidation, David I. Kreiger
Towards Trigonal Prismatic Hexanuclear Copper Complexes For Catalytic Water Oxidation, David I. Kreiger
FIU Electronic Theses and Dissertations
Our planet is running out of energy resources and traditional renewables are not easily transported nor will be sufficient to cover the void left by fossil fuels. Therefore, a new energy storage system needs to be adopted. The medium with highest energy density that is readily available is hydrogen from water. However, to access hydrogen, water needs to be oxidized and water oxidation catalysts (WOCs) will be required for widespread adoption. In pursuit of WOCs, several hexauclear copper complexes were synthesized and characterized, including the isolation and characterization of a mixed-valent Cu6 (formally, CuII5CuIII) …
Electro- And Photocatalytic Carbon Dioxide Reduction And Thermal Isomerization Of Highly Strained Tricyclocompounds, Weiwei Yang
Electro- And Photocatalytic Carbon Dioxide Reduction And Thermal Isomerization Of Highly Strained Tricyclocompounds, Weiwei Yang
Electronic Theses and Dissertations
Anthracene-bridged dinuclear rhenium complexes are reported for electrocatalytic and photocatalytic carbon dioxide (CO2) reduction to carbon monoxide (CO). Related by hindered rotation of each rhenium active site to either side of the anthracene bridge cis and trans conformers have been isolated and characterized. Electrochemical studies reveal distinct mechanisms whereby the cis conformer operates via cooperative bimetallic CO2 activation and conversion and the trans conformer reduces CO2 through well-established single-site and bimolecular pathways analogous to Re(bpy)(CO)3Cl. Higher turnover frequencies are observed for the cis conformer (35.3 s−1) relative to the trans conformer (22.9 s−1) with both outperforming Re(bpy)(CO)3Cl (11.1 s−1). Photocatalytic …
The Investigation Of Protonation Of [Mo2(Nto)2(S2p(Oet)2)2(So)(Sbn)(O2cme)]., Adria Schwarber
The Investigation Of Protonation Of [Mo2(Nto)2(S2p(Oet)2)2(So)(Sbn)(O2cme)]., Adria Schwarber
College of Arts & Sciences Senior Honors Theses
No abstract provided.
Mechanism Of Action And Gold Nanoparticle Delivery Of Pt(Iv) Prodrugs Of Cisplatin, Yi Shi
Mechanism Of Action And Gold Nanoparticle Delivery Of Pt(Iv) Prodrugs Of Cisplatin, Yi Shi
Chemistry - Dissertations
The antitumor effects of platinum(IV) complexes, considered prodrugs for cisplatin, are believed to be due to biological reduction of Pt(IV) to Pt(II), with the reduction products binding to DNA and other cellular targets. In this work we used pBR322 DNA to capture the products of reduction of oxoplatin, c,t,c-[PtCl2(OH)2(NH3)2], 2, and a carboxylate-modified analog, c,t,c-[PtCl2(OH)(O2CCH2CH2CO2H)(NH3)2], 3, by ascorbic acid (AsA) or glutathione (GSH). Since carbonate plays a significant role in the speciation of platinum …
Phosphine Sulfide Copper (I) Complexes: Effects On Oxygen Sensing Ability, Mary K. Walters
Phosphine Sulfide Copper (I) Complexes: Effects On Oxygen Sensing Ability, Mary K. Walters
Antonian Scholars Honors Program
For many applications photoluminescence oxygen sensors are superior instruments compared to other commonly used techniques due to their use of a lumiphor’s emitted light intensity dependence on oxygen. Emitted light from a lumiphor in these sensors is quantitatively reduced by oxygen through quenching events caused by collisions of the lumiphor’s excited state with 3O2. The reduction in intensity upon exposure to oxygen is measured to determine ambient oxygen concentrations with great accuracy and precision. Though powerful instruments, photoluminescence oxygen sensors come with some problems including the use of expensive transition metal (Ru and Pt) lumiphors and polymer matrix supports prone …
A Study Of The Oxidation Of Aqueous Sulfide Solutions By Chlorine., Lester Cole Faulkenberry
A Study Of The Oxidation Of Aqueous Sulfide Solutions By Chlorine., Lester Cole Faulkenberry
LSU Historical Dissertations and Theses
No abstract provided.