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An NMR study of 2-ethyl-1-butyllithium and of 2-ethyl-1-butyllithium/lithium 2-ethyl-1-butoxide mixed aggregates

Description: A 1H, 13C, and 6Li NMR study of 2-ethyl-1-butyllithium indicated that 2-ethyl-1-butyllithium exists only as a hexameric aggregate over the entire temperature range of 25 to - 92.1 ° C in cyclopentane. Reacting 2-ethyl-1-butyllithium with 2-ethyl-1-butanol resulted in alkyllithium/lithium alkoxide mixed aggregates, apparently of the form Ra(RO)bLia+b. A multinuclear, variable temperature NMR study of samples with O:Li ratios of 0.2 and 0.4 showed, in addition to the alkyllithium, the formation o… more
Date: May 2001
Creator: Ferreira, Aluisio V. C.
Partner: UNT Libraries

Layered Double Hydroxides and the Origins of Life on Earth

Description: A brief introduction to the current state of research in the Origins of Life field is given in Part I of this work. Part II covers original research performed by the author and co-workers. Layered Double Hydroxide (LDH) systems are anion-exchanging clays that have the general formula M(II)xM(III)(OH)(2x+2)Y, where M(II) and M(III) are any divalent and trivalent metals, respectively. Y can be nearly any anion, although modern naturally occuring LDH systems incorporate carbonate (CO32-), chloride… more
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Date: May 2001
Creator: Brister, Brian
Partner: UNT Libraries
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Synthesis and characterization of molecules for electron transfer research.

Description: Dimethoxynaphthalene (donor) and quinone (acceptor) have been chosen as a suitable redox pair and are bonded to either permethylated silane chains or corresponding permethylated alkyl chains to form Acceptor-(Bridge)-Donor molecules. The idea that the s-delocalization phenomenon of silane chains may greatly facilitate ET reactions will be tested. The starting material for the donor precursor, 4-(1,4-dimethoxynaphthyl)bromocyclohexane, was 1,4-naphthoquinone. After methylation and bromination, t… more
Date: December 2000
Creator: Xiao, Wu
Partner: UNT Libraries
open access

Thermochemical investigations of crystalline solutes in non-electrolyte solutions: Mathematical representation of solubility data and the development of predictive solubility equations in systems with specific and non-specific interactions.

Description: Understanding the thermodynamic properties of multicomponent mixtures is of critical importance in many chemical and industrial applications. Experimental measurements become progressively difficult as the number of solution components increases -- producing the need for predictive models. Problems in development of predictive models arise if the mixture has one or more components that interact through molecular complexation or association. Experimental solubilities of anthracene and pyrene di… more
Date: May 2008
Creator: Zvaigzne, Anita Ilze
Partner: UNT Libraries
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Predicting Chemical and Biochemical Properties Using the Abraham General Solvation Model

Description: Several studies were done to illustrate the versatillity of the Abraham model in mathematically describing the various solute-solvent interactions found in a wide range of different chemical and biological systems. The first study focused on using the solvation model to construct mathematical correlations describing the minimum inhibitory concentration of organic compounds for growth inhibition towards the three bacterial strains Porphyromonas gingivalis, Selenomonas artemidis, and Streptococc… more
Date: May 2009
Creator: Mintz, Christina
Partner: UNT Libraries

Diphosphine Ligand Activation Studies with Organotransition-Metal Compounds

Description: Thermolysis of CoRu(CO)7(m -PPh2) (1) in refluxing 1,2-dichloroethane in the presence of the diphosphine ligands 2,3-bis(diphenylphosphino)maleic anhydride (bma) and 4,5-bis(diphenylphosphino)-4-cyclopenten-1,3-dione (bpcd) furnishes the new mixed-metal complexes CoRu(CO)4(μ -P-P)(μ -PPh2) [where P-P = bma (3); bpcd (6)], along with trace amounts of the known complex CoRu(CO)6(PPh3)(μ -PPh2) (4). The requisite pentacarbonyl intermediates CoRu(CO)5(μ -P-P)(μ -PPh2) [where P-P = bma (2); bpcd (5)… more
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Date: December 2000
Creator: Wang, Jiancheng
Partner: UNT Libraries

Mechanisms of Methoxide Ion Substitution and Acid- Catalyzed Z/E Isomerization of N-Methoxyimines

Description: The second order rate constants for nucleophilic substitution by methoxide of (Z)- and (E)-O-methylbenzohydroximoyl fluorides [C6H4C(F)=NOCH3] with various substituents on the phenyl ring [p-OCH3 (1h, 2h), p-CH3 (1g, 2g), p-Cl (1f, 2f), p-H (1e, 2e), (3,5)-bis-CF3 (1i, 2i)] in 90:10 DMSO:MeOH have been measured. A Hammett plot of these rate constants vs σ values gave positive ρ values of 2.95 (Z isomer) and 3.29 (E isomer). Comparison of these rates with methoxide substitution rates for Ometh… more
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Date: December 2001
Creator: Dolliver, Debra D.
Partner: UNT Libraries
open access

The preparation and characterization of thermo-sensitive colored hydrogel film and surfactant-free porous polystyrene three-dimensional network.

Description: Polymer hydrogel films change their properties in response to environmental change. This remarkable phenomenon results in many potential applications of polymer hydrogel films. In this thesis colored thermo-sensitive poly(N-isopropylacrylamide) (PNIPAAm) hydrogel film was prepared by firstly synthesizing polymer latex and secondarily crosslinking the nanoparticles and casting the polymers onto glass. The shape-memory effect has been observed when changing the environmental temperature. The temp… more
Date: December 2001
Creator: Zhou, Bo
Partner: UNT Libraries
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Metal-Aluminum Oxide Interactions: Effects of Surface Hydroxylation and High Electric Field

Description: Metal and oxide interactions are of broad scientific and technological interest in areas such as heterogeneous catalysis, microelectronics, composite materials, and corrosion. In the real world, such interactions are often complicated by the presence of interfacial impurities and/or high electric fields that may change the thermodynamic and kinetic behaviors of the metal/oxide interfaces. This research includes: (1) the surface hydroxylation effects on the aluminum oxide interactions with coppe… more
Date: December 2001
Creator: Niu, Chengyu
Partner: UNT Libraries
open access

Substitution chemistry of the cobalt complexes RCCo3(CO)9 (R = H, CHO) with the diphosphine ligand: 4,5-bis(diphenylphosphino)-4-cyclopenten-1,3-dione (bpcd). Syntheses, X-ray structures and reactivity.

Description: The reaction between the tetrahedrane cluster RCCo3(CO)9{R = CHO (1), H (3)} and the redox-active diphosphine ligand 4,5-bis(diphenylphosphino)-4-cyclopenten-1,3- dione (bpcd) leads to the replacement of two CO groups and formation of RCCo3(CO)7(bpcd) {R = CHO (2), H (4)}. Clusters 2 and 4 are thermally unstable and readily transform into the new P-C bond cleavage cluster 5. All three clusters 2, 4, and 5 have been isolated and fully characterized in solution by IR and 31P NMR spectroscopy. VT … more
Date: December 2001
Creator: Liu, Jie
Partner: UNT Libraries

Investigations of Thermochemistry and the Kinetics of H Atom Radical Reactions

Description: The thermochemistry of several species, and the kinetics of various H atom radical reactions relevant to atmospheric and combustion chemistry were investigated using ab initio theoretical techniques and the flash photolysis / resonance fluorescence technique. Using ab initio quantum mechanical calculations up to the G3 level of theory, the C-H bond strengths of several alkanes were calculated. The bond strengths were calculated using two working reactions. From the results, it is apparent that … more
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Date: December 2002
Creator: Peebles, Lynda Renee
Partner: UNT Libraries
open access

Synthesis of Crown Ether/Ammonium Salt for Electron Transfer Study

Description: The theoretical model of Beratan and Onuchic predicts a large attenuation of ET rates through hydrogen bonds; however, the effect of individual hydrogen bond on electron transfer reaction has not been systematically studied. The organic complexes in this study are a series of crown ether/ammonium salt, which incorporate a redox partner on each component of the complex. The dimethoxynaphthalene redox donor was attached to the crown ether and a series of ammonium salts was synthesized which bear … more
Date: May 2002
Creator: Han, Dong
Partner: UNT Libraries

Layered Double Hydroxides: Morphology, Interlayer Anion, and the Origins of Life

Description: The preparation of layered double hydroxides via co-precipitation of a divalent/trivalent metal solution against a base results in 1 mm LDH particles with a disorganized metal lattice. Research was performed to address these morphological issues using techniques such as Ostwald ripening and precipitation via aluminate. Another interesting issue in layered double hydroxide materials is the uptake and orientation of anions into the interlayer. Questions about iron cyanide interlayer anions have b… more
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Date: December 2002
Creator: Halcom-Yarberry, Faith Marie
Partner: UNT Libraries
open access

NMR Study of n-Propyllithium Aggregates

Description: A variable temperature 1H, 13C, and 6Li NMR study of n-propyl-6Li-lithium showed five different aggregates, similar to that in the literature as (RLi)n, n= 6, 8, 9, 9, 9. There were also a number of additional new species, identified as lithium hydride containing aggregates. Unexpectedly, a series of 13C{1H} 1-D NMR experiments with selective 6Li decoupling showed evidence for 13C-6Li spin-spin coupling between the previously reported (RLi)n aggregates and various hydride species.
Date: December 2002
Creator: Davis, James W.
Partner: UNT Libraries
open access

Kinetic Studies of Hydroxyl and Hydrogen Atom Reactions

Description: Gas phase kinetics of the reactions involving hydroxyl radical and hydrogen atom were studied using experimental and ab initio theoretical techniques. The rate constant for the H + H2S reaction has been measured from 298 to 598 K by the laser photolysis/resonance fluorescence (LP-RF) technique. The transition state theory (TST) analysis coupled with the measurements support the suggestion that the reaction shows significant curvature in the Arrhenius plot. The LP-RF technique was also used to… more
Date: May 2002
Creator: Hu, Xiaohua
Partner: UNT Libraries
open access

Synthesis and characterization of molecules to study the conformational barriers of fluorocarbon chains

Description: Fluorocarbons are known to be stiffer than their hydrocarbon analogues, a property that underlines the extensive industrial application of fluorocarbon materials. Although there has been previous studies on the rotational barrier of molecules having fluorocarbon centers, a detailed systematic study is necessary to quantify flurocarbon stiffness. The molecules, Pyrene-(CF2)n-Pyrene, Pyrene-(CF2)n-F, Pyrene-(CH2)n-Pyrene and Pyrene-(CH2)n-H were therefore synthesized to enable the determination o… more
Date: May 2000
Creator: Niyogi, Sandip
Partner: UNT Libraries
open access

The Performance of Silicon Based Sensor and its Application in Silver Toxicity Studies

Description: The silicon based sensor is able to detect part per trillion ionic silver in 0.0098% hydrofluoric acid based on the open circuit potential (OCP) measurement. The OCP jump of 100 ppt ionic silver solution is up to 120 mV. The complex agent can effectively suppress the ionic silver concentration and suppress the OCP signal. The ability of complex agent to suppress the OCP signal depends on the formation constant of the complex with silver. The complex adsorbed on the sensor surface induces a sec… more
Date: August 2000
Creator: Peng, Haiqing
Partner: UNT Libraries
open access

Diffusion Barriers/Adhesion Promoters. Surface and Interfacial Studies of Copper and Copper-Aluminum Alloys

Description: The focus of this research is to study the interaction between copper and the diffusion barrier/adhesion promoter. The behavior of copper sputter-deposited onto sputter-cleaned tantalum nitride is investigated. The data show that copper growth on tantalum nitride proceeds with the formation of 3-D islands, indicating poor adhesion characteristics between copper and Ta0.4N. Post-annealing experiments indicate that copper will diffuse into Ta0.4N at 800 K. Although the data suggests that Ta0.4N i… more
Date: August 2000
Creator: Shepherd, Krupanand Solomon
Partner: UNT Libraries

Substituent Effects: A Computational Study on Stabilities of Cumulenes and Low Barrier Hydrogen Bonds

Description: The effect of substituents on the stabilities of cumulenes-ketenes, allenes, diazomethanes and isocyanates and related systems-alkynes, nitriles and nitrile oxides is studied using the density functional theory (B3LYP, SVWN and BP86) and ab initio (HF, MP2) calculations at the 6-31G* basis set level. Using isodesmic reactions, correlation between stabilization energies of cumulenes and substituent group electronegativities (c BE) is established and the results from DFT and MP2 methods are compa… more
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Date: August 2000
Creator: Kumar, Ganesh Angusamy
Partner: UNT Libraries
open access

Metallization and Modification of Low-k Dielectric Materials

Description: Aluminum was deposited onto both Teflon AF and Parylene AF surfaces by chemical vapor deposition of trimethylaluminum. This work shows that similar thin film (100 Angstroms) aluminum oxide adlayers form on both polymers at the low temperature dosing conditions used in the studies. Upon anneal to room temperature and above, defluorination of the polymer surfaces increased and resulted in fluorinated aluminum oxide adlayers; the adlayers were thermally stable to the highest temperatures tested (6… more
Date: December 2008
Creator: Martini, David M.
Partner: UNT Libraries
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Applications of Nanomanipulation Coupled to Nanospray Mass Spectrometry in Trace Fiber Analysis and Cellular Lipid Analysis.

Description: The novel instrumentation of nanomanipulation coupled to nanospray mass spectrometry and its applications are presented. The nanomanipulator has the resolution of 10nm step sizes allowing for specific fine movement used to probe and characterize objects of interest. Nanospray mass spectrometry only needs a minimum sample volume of 300nl and a minimum sample size of 300attograms to analyze an analyte making it the ideal instrument to couple to nanomanipulation. The nanomanipulator is mounted to … more
Date: December 2008
Creator: Ledbetter, Nicole
Partner: UNT Libraries
open access

Comparison of Homework Systems (Four Web-Based) used in First-Semester General Chemistry

Description: Web-based homework systems are becoming more common in general chemistry as instructors face ever-increasing enrollment. Yet providing meaningful feedback on assignments remains of the utmost importance. Chemistry instructors consider completion of homework integral to students' success in chemistry, yet only a few studies have compared the use of Web-based systems to the traditional paper-and-pencil homework within general chemistry. This study compares the traditional homework system to four … more
Date: May 2009
Creator: Belland, Joshua
Partner: UNT Libraries
open access

Fluorination Effect on the Conformational Properties of Alkanes

Description: A Series of fluorophores of the general formular P(CF2)nP and P(CF2)n-1CF3 has been synthesized. Copper catalyzed coupling of 1-bromopyrene and the corresponding mono and di-iodoperfluoroalkanes were used in most cases. For the n=3 dimer, a novel 1,w-perfluoroalkylation of pyrene via bis-decarboxylation of hexafluorogultaric acid was utilized. These compounds, along with suitable hydrocarbon analogs, are being used to study the flexibility of fluorocarbon chains using emission. We have foun… more
Date: May 2002
Creator: Xu, Wenjian
Partner: UNT Libraries
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A Computational Study on 18+δ Organometallics

Description: The B3LYP density functional has been used to calculate properties of organometallic complexes of Co(CO)3 and ReBr(CO)3, with the chelating ligand 2,3-bisphosphinomaleic anhydride, in 19- and 18-electron forms. The SBKJC-21G effective core potential and associated basis set was used for metals (Co/Re) and the 6-31G* basis set was used for all other elements. The differences of bond angles, bond distances, natural atomic charges and IR vibrational frequencies were compared with the available e… more
Date: May 2002
Creator: Yu, Liwen
Partner: UNT Libraries
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