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Ua66/7/2 Newsletter, Wku Chemistry

WKU Archives Records

Newsletter created by and about the WKU Chemistry department.

The Isoelectronic Principle And The Accuracy Of Binding Energies In The Hückel Method, Jerry Goodisman

Chemistry - All Scholarship

In the Hükkel and other methods, binding energies are calculated by subtracting the sum of orbital electronic energies for the molecule from the sum of orbital electronic energies for the separated atoms, and not considering the internuclear repulsion. Since this last may be several orders of magnitude greater than the binding energy, reasonable results could not be obtained without an approximate cancellation with another neglected term. It is shown that such a cancellation is a consequence of the isoelectronic principle (invariance of binding energy to change in atomic number of constituent atom). Numerical examples are given.

Quasilattice Interpretation Of The Thermodynamic Properties Of Mixing Of Binary Alkali-Metal Systems, J. Bevan Ott, J. Rex Goates

Faculty Publications

Quasilattice theory was applied to heats of mixing in the six systems formed from the binary combinations of Na, K, Rb, and Cs. The alkali-metal systems are particularly well suited for a critical test of the quasi-crystalline assumption since the theoretical model for these systems is relatively simple and the thermodynamic data are fairly complex. Very good fits of the heat-of-mixing data were achieved by assuming that the larger atom in the binary system covered multiple sites on the quasilattice. The values of the empirically determined constants appear to fit the physical significance accorded to them by the quasilattice model. …

Mössbauer Effect In The Ferroelectric Pbtio₃-Bifeo₃ Solid Solutions, C. M. Yagnik, James P. Canner, Robert Gerson, William Joseph James

Physics Faculty Research & Creative Works

The Mössbauer spectra of the system (PbTiO₃)_0.95(BiFeO₃)_0.05 have been studied from room temperature to 585°C. From the isomer-shift of 0.491±0.02 mmsec^-1 at room temperature, the ionicity is found to be 60% ± 20%. A discontinuity in the plot of isomer-shift versus temperature at T_c is observed. The quadrupole splitting at room temperature is 0.295 ± 0.02 mm/sec^-1. A dip in the Mössbauer fraction is observed at the Curie temperature.

The Attempted Synthesis Of Ethylenimine, Rabindranath Patnaik

Masters Theses & Specialist Projects

The object of this investigation was to study the homogeneously catalyzed reaction of acetylene and ammonia and particularly to attempt to synthesize ethylamine by the reaction of acetylene and ammonia.

The Oxidative Decarboxylation Of Polyaminocarboxylic Acids - I. A Study Of The Reaction Of Ethylenedinitrilotetraacetic Acid (Edta) With Cerium (Iv) In Acid Solution, Samir B. Hanna, S. Al-Hashimi, William H. Webb, William R. Carroll

Chemistry Faculty Research & Creative Works

The reaction between Ce(IV) and EDTA was followed titrimetrically and spectrophotometrically and was found to occur in stages. Four equivalents of Ce(IV) are reduced per mole of EDTA almost instantaneously at room temperature. With increasing temperature and reaction time an ultimate of about 14 equivalents of Ce (IV) is consumed per mole of EDTA. Carbon dioxide, formaldehyde, and other yet unidentified compounds are the products of oxidation of EDTA. The kinetics of the reaction in aqueous sulfuric acid was studied over the temperature range 11.7°-40°C by a spectrophotometric technique. The effects of the acidity of the medium and of added …

Chemistry Of The Oxidant, Ferrate, Its Interaction With Specific Organics Found In Waste Water, Donald H. Williams, J. T. Riley

KWRRI Research Reports

It became obvious during this investigation that while much work has been done with ferrate (VI) chemistry, discrepancies existed in the literature and very little attention had been given possible engineering uses. This work attempted to fulfill these two needs in an exploratory manner.

The preparative techniques were reviewed and mechanical improvements made in one which allowed improved yields. Essentially what was done was to enlarge and improve the filtering technique of the product and use cooler temperatures throughout the preparation. This greatly shortened the time required. Then it was learned that the addition of ethyl alcohol to the final …

Trace Metal Analysis Of Barren River And Nolin River Reservoirs By Atomic Absorption Spectroscopy, Mary Jo Kennedy

Masters Theses & Specialist Projects

This research was part of a project underway at Barren River and Nolin River Reservoirs in south-central Kentucky. The research was partially supported by a grant through the Sport Fishing Institute, Washington, D.C.

The study reported herein was concerned with the analysis of trace metal concentrations in the two reservoirs. It is believed that the fish population may in part depend upon the trace metals present in the water. It is anticipated that the data presented in this paper will eventually be correlated with the biology studies of the reservoirs being carried out by the Department of Biology of Western …

Breaching The Walls, Wendell W. Hess

Honorees for Teaching Excellence

No abstract provided.

Modification Of The Devonshire Formula For The Thermal Accommodation Coefficient Of Helium On Tungsten, D. Vincent Roach, Robert E. Harris

Chemistry Faculty Research & Creative Works

The thermal accommodation coefficients (a.c.) of 3He and of 4He on clean tungsten were calculated using the Devonshire formula for temperatures between 70 and 600°K using "realistic" Morse potential parameters. The calculated a.c. values for 3He and 4He and the calculated ratios of the 4He to 3He values are compared with experimental data. The agreement is satisfactory if allowance is made for the error in the transition probability calculation used in the Devonshire formula.

Complexes Of Phosphine Ligands With The Main Transition Elements, Richard R. Clikeman '69

Honors Projects

It has been long known that ammonia as well as many primary, secondary and tertiary amines, acts as a ligand forming complexes with the main transition elements.

Semiempirical Determination Of The Hydrogen Bond Energy For Water Clusters In The Vapor Phase. I. General Theory And Application To The Dimer, Richard W. Bolandee, James L. Kassner, Joseph T. Zung

Physics Faculty Research & Creative Works

A simple semiempirical method is given for determining the hydrogen bond energy for water clusters in the vapor phase. This method is based on a general statistical-mechanical theory of clustering. The partition function for a system of clusters is used to determine the equilibrium distribution of clusters. In conjunction with available thermodynamic and spectroscopic data, the cluster equilibrium constants can be used to calculate the cluster potential energy and the hydrogen bond energy. Results for the water dimer agree quite well with other reported values obtained either by quantum-mechanical calculations or approximate thermodynamic estimates. A correct temperature dependence of the …