Physical Sciences and Mathematics Commons^™

Advances In Synthetic Polymer Chemistry: New Polymer Types And New Directions, The Sixth Carl S. Marvel Symposium, Otto Vogl, Henry K. Hall

Emeritus Faculty Author Gallery

No abstract provided.

Polymer Science In Japan: The Hokuriku District And The Remaining Universities Of Japan, Otto Vogl, Kiichi Takemoto

Emeritus Faculty Author Gallery

No abstract provided.

(On The) Observability Of Cubic (P8) Octaphosphorus, Michael W. Schmidt, Mark S. Gordon

Mark S. Gordon

A recent MNDO calculation predicts that the hypothetical P8 is more stable than the observed gas-phase species P4. The ab initio calculations reported here predict just the opposite but do establish that P8 is more stable than another experimentally known form, P2. The relative enthalpies (kcaljmol) are found to be as follows: 4P2, 72.4; 2P 4, 0; P8, 30.4. A force field analysis proves P8 has a cubic structure. The bond length, vibrational frequencies, and photoelectron spectrum of P8 are predicted.

Advances In Synthetic Polymer Chemistry: New Polymer Types And New Directions, The Sixth Carl S. Marvel Symposium, Otto Vogl, Henry K. Hall

Otto Vogl

No abstract provided.

Polymer Science In Japan: The Hokuriku District And The Remaining Universities Of Japan, Otto Vogl, Kiichi Takemoto

Otto Vogl

No abstract provided.

Cobalt (Iii) Complexes With (R) - 1, 2-Diaminopropane And Its Derivatives, Christopher John Rudy

Masters Theses

(R)-1, 2-Diethylaminopropane (N,N' -Etlpn) was prepared by LialH₄ reduction of (R)-1-2-diacetamidopropane (m.p. 153.5°C). The [∝]_D of N, N'-Melpn and N,N'-Etlpn was related to that of 1pn and was concentration dependent. (R)-1, 2-Dibenzylaminopropane was prepared. Complexes of trans, trans- and trans, cis-dinitrobis ((R)- 1, 2-diethylaminopropane) cobalt (III) were perpared. The hexadecadal rule was used to help assign the nitro oxygens of the complexes to sectors adjacent to the axial amine hydrogens and within the boundaries of the λ- chelate rings. The CD spectra was solvent dependent. The instability of trans-[Co (III)N₄X₂]⁺ complexes was related …

Synthesis Of Pyridine Nucleosides By Cycloaddition Reactions And Synthesis And Condensation Reactions Of 4-Aryl-2-Oxytetronimides, Glenn L. Heise

Masters Theses

Experiment 1: The reaction of various glutaconaldehyde salts (Na⁺ or K⁺) with glycosyl isothiocyanates has resulted in the formation of a novel class of compounds. Relatively mild conditions were utilized for the synthesis which occurs in four steps, and in good yield, starting from glucpseptentaacetate. These reactions were found to be regiospecific. The unique physical and spectral properties of the model compound 1-(2,3,4,6-tetra-0-acetyl-β-D-glycopranosyl)-2-thiono-3-pyridine carboxaldehyde are also discussed.

Experiement 2: Early synthetic methodologies have recently been utilized in the synthesis of 4-aryl-2-oxytetronimides. These compounds have been found to participate in condensation reactions with various substituted o-phenylene diamines. A …

The Design And Construction Of Microprocessor-Computer Controlled Rapid Scanning Fiberoptic Spectrophotometer, Kathleen Marie Tobin

Masters Theses

Conventional spectrophometers require the transfer of a sample to a cuvette for obtaining spectra. The measurement of absorbance in situ can be accomplished using a fiber optic probe which can be placed directly in the sample. The fiber optic probe also minimizes environmental factors such as thermal or vibrational which may affect the absorbing species. A rapid scanning speed allows for essentially simultaneous wavelength monitoring.

The effect of coupling a rapid scanning spectrophotometer with a fiber optic probe provides for an extremely versatile system. When used in comjunction with a microprocessor or computer, this approach offers advantages such as data …

Reactions Of Supercritical Water With Quinolone And Related Compounds, Zhuangjie Li

Masters Theses

One function which coal processing can perform is the removal of heteroatoms to yield a less polluting product. The removal of nitrogen atoms from the model compounds quinoline and aniline, which are believed to be representative of the nitrogen functional groups found in coal, was studied using supercritical water (SW) as the fluid. Water at these conditions serves as a reactant, helping to promote the rupture of the heterocyclic ring and in the removal of nitrogen attached to an aromatic ring. Heterocyclic ring rupture leads to the formation of several methylated products, methyl and dimethyl anilines, phenols and quinolines. The …

Characterization Of Potassium Promoted & Unpromoted Fischer-Tropsch Catalysts, Steven Miller

Masters Theses & Specialist Projects

The technique of x-ray photoelectron spectroscopy (XPS) has been applied to characterize iron-manganese catalysts used in Fischer-Tropsch synthesis. The catalysts, which vary in composition from 10 FE/90 Mn, to 50 Fe/50 Mn are analyzed after being placed in a slurry reactor and having synthesis gas reacted over them. Changes, in catalyst composition are investigated further using in situ techniques. Additionally, 20 Fe/80 Mn catalysts containing potassium in the range of 0.1 wt.% to 1.3 wt.% are analyzed in the same manner. These studies have permitted the identification of some of the factors influencing activation and deactivation, product selectivity, and surface …

Redox Reaction Kinetics Between Cobalt(Ii)-4,4',4",4'"-Tetrasulfophthalocyanine & Iodine In Various Solvents, Byung-Soo Yu

Masters Theses & Specialist Projects

Analyses of the kinetic data obtained on the redox reaction between cobalt(II)-4,4',4",4"-tetrasulfophthalocyanine [Co(II)TSPC4^-] and iodine in the presence of air show three reactions in dimethylsulfoxide(DMS0), N,N-dimethylacetamide(DMA), and diethylene glycol(DEG) while there are two reactions in methanol(Me0H). Two of the three reactions in DMSO, DMA, and DEG are biphasic with one reaction in all of the solvents being too fast to be accurately measured on the Cary Model 14 spectrophotometer. When the reactant solutions are purged with argon for 40 minutes under identical conditions, the same biphasic reactions are observed in DMSO and DEG while only one of the …

Reductive Dechlorination Of Toxic Chlorocarbons, K. Grant Taylor

KWRRI Research Reports

The sodium hydride based reducing agents were prepared the method of Caubere (Angew. Chem. Int. Ed. Engl., 1983, 22, 599-613). Reagents were prepared containing nickel, iron and zinc metals. All were effective in dechlorinating 1,3-dichlorobenzene, 4-methoxy-chlorobenzene, and arochlor 1254. Most work focused on nickel based reagents, the most active. The nickel-based reducing agent used in THF at 65°C reduced to 200 ppm 1,3-dichlorobenzene (to benzene) and arochlor 1254 (to biphenyl) to below 0.2 ppm in less than 15 minutes. A two stage reduction reduced arochlor 1254 to below a detectable level as determined by gas chromatography using f.i.d. detector. Using …

Specialty Polymers -Present And Future, Otto Vogl, Roger Epton

Emeritus Faculty Author Gallery

No abstract provided.

Specialty Polymers -Present And Future, Otto Vogl, Roger Epton

Otto Vogl

No abstract provided.

Calculated Electronic Profiles For Liquid-Metal Surfaces, Jerry Goodisman

Chemistry - All Scholarship

The electronic density profile for a liquid-metal surface can be calculated by solving the self-consistent Lang-Kohn equations for the electronic wave functions. One requires a surface density profile for the ion cores, which enters the electrostatic and pseudopotential parts of the electronic Hamiltonian. We use oscillatory profiles, suggested by those found by molecular-dynamics simulations on a pseudoatom model. Calculating surface potentials and work functions, we obtain excellent agreement with experiment (within 0.2 eV). It is shown that use of either step-function ion profiles or a simple variational method leads to serious errors (12 eV) for these quantities.

Glycation Of Amino Groups In Protein, Nancy G. Watkins, Suzanne R. Thorpe, John W. Baynes

Faculty Publications

Ribonuclease A has been used as a model protein for studying the specificity of glycation of amino groups in protein under physiological conditions (phosphate buffer, pH 7.4, 37 “C). Incubation of RNase with glucose led to an enhanced rate of inactivation of the enzyme relative to the rate of modification of lysine residues, suggesting preferential modification of active site lysine residues. Sites of glycation of RNase were identified by amino acid analysis of tryptic peptides isolated by reverse-phase high pressure liquid chromatography and phenylboronate affinity chromatography. Schiff base adducts were trapped with Na- BH&N and the a-amino group of Lys-1 …

Evaluation Of Electrochemical Kinetic Parameters Using The Bond-Henderson-Oldham Global Analysis, Dennis Evans, Mark Anderson

Mark R. Anderson

No abstract is currently available.

The Survival Of Mesophilic And Thermophilic Bacteria Subjected To Uv Irradiation, Sajida A. Shaikh

Masters Theses

Survival curves were determined for the mesophile, Bacillus licheniformis and the thermophile, Bacillus stearothermophilus after subjecting the cells to ultraviolet irradiation. Cells were grown at 37°C for the mesophile and at 55°C for the thermophile.

At low UV exposure times, the thermophile was more resistant to UV irradiation (had a better survival rate) than was the case for the mesophile. At higher exposure times, the situation was reversed, the mesophile having a greater survival rate than the thermophile.

The effect of changes in the temperature during irradiation was also determined. Thermophiles were greatly affected by changes in temperature while the …

27th Rocky Mountain Conference

Rocky Mountain Conference on Magnetic Resonance

Program and abstracts from the 27th annual meeting of the Rocky Mountain Conference, co-sponsored by the Rocky Mountain Section of the Society for Applied Spectroscopy and the Rocky Mountain Chromatography Discussion Group. Held in Denver, Colorado, July 14-18, 1985.

The Thirsty Earth: Acid Rain - A Sour Drink, Margaret R. Souza

Bridgewater Review

No abstract provided.

Studies Of Silicon-Phosphorus Bonding, Kenneth J. Dykema, Thanh N. Truong, Mark S. Gordon

Mark S. Gordon

Ab initio calculations are presented for several species containing a silicon-phosphorus bond. The types of bonding studied include "normal" single, double, and triple bonds, as well as an ylide-like structure. The latter is found to be much less strongly bound than the carbon analogue, with a smaller stretching force constant than that in silylphosphine. The insertions of silylene into the phosphine bond and of phosphinosilylene into H2 are discussed, with the former being illustrated using localized molecular orbitals along the intrinsic reaction coordinate (IRC). Silylene to silene isomerizations in both the closed-shell singlet and the lowest triplet states of SiPH3 …

A Theoretical Study Of Fluorine Atom And Fluoride Ion Attack On Methane And Silane, Larry P. Davis, Larry W. Burggraf, Mark S. Gordon, Kim K. Baldridge

Mark S. Gordon

We have performed MNDO and ab initio calculations for reactions of fluorine atom attack on methane and silane and, in addition, fluoride ion attack on the same molecules in the case of MNDO. We modeled both substitution and abstraction reactions in each case. Results were compared with experimental data, where available. Comparisons show that MNDO usually does as well as the ab initio methods in reproducing experimental values for D.E's of these reactions, but MNDO predicts activation barriers too high in most cases. Nevertheless, MNDO does qualitatively agree with the ab initio result that, while carbon undergoes abstraction much more …

Predicting The Self-Heating Potential Of Coal, Seyed Mohammad Fatemi-Badi

Masters Theses & Specialist Projects

Self-heating in coal has been studied for well over one hundred years, yet there is no accurate or reliable method for predicting the potential of certain coals to undergo self-heating. Fires caused by self-heating, and eventually spontaneous combustion, have occurred in the high wall of surface mines, in underground mines, in coal stockpiles, and on trains, barges and ships. Self-heating in coal is brought about through a complex interplay of conditions depending on the specific properties of the coal as well as many external factors involved in the mining and handling of coal.

In a study supported by the United …

Hydrogenation Of Nitro Compounds To Amines Using Polymer Bound Catalysts, Eduardo Baralt

Masters Theses & Specialist Projects

A polymer bound catalyst is a relatively new type of catalyst. The basis of polymer bound catalysis lies in the chemical attachment of a homogeneous catalyst to a solid support, in our case, polystyrene. Applications of polymer bound catalysts started in the late 1960’s, and have been used in several types of reactions. In some cases such a catalyst offers a series of advantages over the classical models of catalysis, homogeneous and heterogeneous.

The hydrogenation of various aromatic and aliphatic nitro compounds, such as nitro-benzene and 2-nitropropane, were performed successfully. The hydrogenation activity in most cases was high, and in …

Analytical Pyrolysis Of Thai Lignites, Naowarat Poolasap

Masters Theses & Specialist Projects

Samples of four different Thai lignites were utilized to study the effects of ceiling temperature and heating rate on the overall yield and product distribution by the technique of analytical pyrolysis (pyrolysis-gas chromatography). Ceiling temperatures of 450°, 550°, 650°, 750°, 850°, and 950°C, a heating rate of 500°C/sec and pyrolysis intervals of 20 seconds were investigated. The results were reported in terms of percentage high-volatile product and low-volatile product fraction, weight-loss (% by weight), and total yield (counts per milligram). One sample which showed the highest sensitivity to changing ceiling temperature was selected to study the effect of heating rate …

Development Of An On-Line Computer System For Cyclic Voltammetry Studies, Tai-Lee Leo Huo

Chemistry & Biochemistry Theses & Dissertations

An Apple II Plus microcomputer was interfaced to a PAR 174A Polarographic Analyser, an HP 7O4OA X-Y recorder and a three-electrode system. This on-line computer system was applied to Cyclic Voltammetry (CV) studies. The interfacing involved both hardware and software development. Various hardware components were used to amplify and transmit the analog signal both going into the computer and coming from the computer. Software programs were written for staircase waveform generation, data acquisition, and plotting the voltammograms obtained.

A package was designed for CV experiments to be used by the students in the instrumental analysis laboratory. This package contains several …

Behavior Of An Electron In Helium Gas, John Bartholomew, Randall W. Hall, Bruce J. Berne

Randall W. Hall

The G-Factor Of The 7/2+ 1264.4 Kev Level In 97zr, Z. Berant, R. L. Gill, M. H. Rafailovich, R. E. Chrien, J. C. Hill, F. K. Wohn, R. F. Petry, C. Chung, Graham F. Peaslee, M. Mohsen

Faculty Publications

The g-factor of the level in 97Zr has been measured using the time-differential perturbed angular correlation method. The resultant g-factor, g=+0.39(4) is consistent with the simple shell model prediction for a if neutron, assuming gs=gsfree. This is in contrastrast to the measured in 115Sn, 121Te, 125,127Xe where consistency is obtained with theoretical calculation by assuming gs≈0.7 gsfree and is seen as another confirmation of quasi-shell closure at 96Zr.

Detection And Analysis Of Carbonyl Compounds In Rural Cloudwater, Steven Bart Bertman

Honors Theses

A new technique for aqueous determination of aldehydes and ketones was field tested along with a new technique for ambient air analysis. The work was done during the summer of 1984 on Whiteface Mountain in Wilmington, NY. Both techniques utilized carbonyl derivitization as their 2,4-dinitrophenyl hydrazones and subsequent analysis by reversed phase HPLC. Analysis of the blank levels for the ambient air method shows the levels found to be non-detectable. The aqueous method worked well. Formaldehyde, acetaldehyde, and acetone were the only species found in cloud water. They were generally present in concentrations between .5 uM and 4 uM. Little …

The Syntheses Of Benzo-(2.2)-Paracyclophane, 2, 15-Dithia-(3.3)-Napthalenophane, And Hexamethylbenzene Dichloride, David Gene Barrett

Honors Theses

The purpose of this study was the preparation by a novel approach of benzo-(2.2)-paracyclophane. Also synthesized were the syn-and anti-isomers of 2,15-dithia (3.3)- napthalenophane. The results of these syntheses are supported by spectral studies. In preparation for future study of the ruthenium complexes of these cyclophanes, hexamethylbenzeruthenium dichloride was also synthesized.