Browsing Chemistry by Issue Date
Now showing items 1-20 of 818
-
Direct Fitting of Analytical Potential Functions to Diatomic Molecular Spectroscopic Data
(University of Waterloo, 2000)The standard practice of spectroscopic data reduction is generally to fit data to level energy expansions in terms of the vibrational and rotational quantum numbers. However, the utility of such expressions is limited ... -
Supercooling and Freezing of HNO3/H2O Aerosols
(University of Waterloo, 2000)The freezing kinetics of binary nitric acid/water aerosols is of fundamental importance to the modelling of polar stratospheric clouds and the role they in ozone depletion over the Arctic/Antarctic regions. Cirrus clouds ... -
Noble Gas Collision Induced Vibrational Relaxation of (v=1) para-H2
(University of Waterloo, 2001)Close coupling scattering calculations have been conducted for the para spin modification of H<sub>2</sub>-{He, Ne and Ar}. The XC(fit) potential energy surfaces for H<sub>2</sub>-Ne and H<sub>2</sub>-Ar have been used ... -
Determining Analytical Potential Energy Functions of Diatomic Molecules by Direct Fitting
(University of Waterloo, 2001)The fully quantum mechanical 'direct-potential-fit' (DPF) method has become increasingly widely used in the reduction of diatomic spectra. The central problem of this method is the representation of the potential energy ... -
Fourier Transform Spectroscopy of Selected Transient Species
(University of Waterloo, 2003)The procedures and results of experimental and/or theoretical studies of four transient molecules, GeO, WO, BeH, and MgH are reported in the thesis. Two of them, GeO and WO, are diatomic molecules composed of relatively ... -
Surface Chemistry of Hexacyclic Aromatic Hydrocarbons on (2x1) and Modified Surfaces of Si(100)
(University of Waterloo, 2004)Room-temperature chemisorption of hexacyclic aromatic hydrocarbons on the 2x1, sputtered, oxidized and H-terminated Si(100) surfaces, as well as those upon post treatments of hydrogenation, oxidization and electron irradiation ... -
Combined Use of Models and Measurements for Spatial Mapping of Concentrations and Deposition of Pollutants
(University of Waterloo, 2004)When modelling pollutants in the atmosphere, it is nearly impossible to get perfect results as the chemical and mechanical processes that govern pollutant concentrations are complex. Results are dependent on the quality ... -
New Calibration Approaches in Solid Phase Microextraction for On-Site Analysis
(University of Waterloo, 2004)Calibration methods for quantitative on-site sampling using solid phase microextraction (SPME) were developed based on diffusion mass transfer theory. This was investigated using adsorptive polydimethylsiloxane/divinylbenzene ... -
Quantitative Modelling of the Shifts and Splitting in the IR Spectra of SF<sub>6</sub> in an Ar Matrix
(University of Waterloo, 2005)An infrared active polyatomic molecule has several vibrational modes, each of which has a characteristic frequency. If the molecule is trapped in a matrix of perturbing atoms, those vibrational frequencies will shift, ... -
The Catalytic Intramolecular Friedel-Crafts Acylation of Meldrum's Acid Derivatives and The Total Synthesis of Taiwaniaquinol B
(University of Waterloo, 2005)The intramolecular Friedel-Crafts acylation of aromatics with Meldrum?s acid derivatives catalyzed by metal trifluoromethanesulfonates and other Lewis acids is reported. Meldrum?s acids are easily prepared, functionalized, ... -
Chlorine, Fluorine and Water in the Stratosphere: Chemistry, Transport and Trends based on ACE-FTS measurements
(University of Waterloo, 2006)The Atmospheric Chemistry Experiment (ACE) is a satellite mission for remote sensing of the Earth's atmosphere using the solar occultation technique. The primary instrument on this satellite is the Atmospheric Chemistry ... -
Studies of Interaction of Small Molecules with Water Condensed Media
(University of Waterloo, 2006)STUDIES OF INTERACTION OF SMALL MOLECULES WITH WATER CONDENSED MEDIA<br /><br /> The present work reports experimental and theoretical studies of the intermolecular interactions in condensed water media. The chemical ... -
Interfacial Properties of Amphiphilic Dendritic Polymers
(University of Waterloo, 2006)The self-assembly behavior of arborescent polystyrene-<em>graft</em>-poly(ethylene oxide) copolymers (PS-<em>g</em>-PEO) at the air-water interface and the solubilization/release properties of arborescent polystyrene-<em ... -
High-resolution infrared emission spectroscopy of diatomic and triatomic metal hydrides
(University of Waterloo, 2006)Several hydrides of Group 2 and 12 elements were generated in the gas phase using an emission source that combines an electrical discharge with a high temperature furnace, and their high-resolution infrared emission spectra ... -
Studies Related to Tandem Reactivity of 1-Carbomethoxy-5-dicyanomethyl-1,3-cyclohexadiene
(University of Waterloo, 2006)A set of studies centered around the reactions of the active methine compound 1-carbomethoxy-5-dicyanomethyl-1,3-cyclohexadiene (the "ring-opened adduct"), obtained by base-induced ring-opening of the Diels-Alder adduct ... -
Asymmetric Synthesis using 3,3'-Disubstituted Binaphthol-modified Boronates
(University of Waterloo, 2006)A number of 3,3'-disubstituted binaphthol-modified allylboronates (<strong>2. 42a-m</strong>) were prepared from the reaction between triallylborane and the corresponding 3,3'-disubstituted binaphthols. These chiral ... -
Biosensing at an individually addressable electrochemical array
(University of Waterloo, 2006)In this thesis, a novel electrochemical array is reported. The array consists of two planar halves, each having four carbon screen-printed band electrodes (SPEs), orthogonally facing each other and separated by a spacer ... -
Study of Transition Metal Phosphides as Anode Materials for Lithium-ion Batteries: Phase Transitions and the Role of the Anionic Network
(University of Waterloo, 2006)This study highlights the importance of the anion in the electrochemical uptake of lithium by metal phosphides. It is shown through a variety of <em>in-situ</em> and <em>ex-situ</em> analytical techniques that the redox ... -
Modelling of Atmospheric Mercury Emission, Transport, Transformation and Deposition in North America
(University of Waterloo, 2006)<html> <head> <meta http-equiv="Content-Type" content="text/html;charset=iso-8859-1"> </head> <body> A modelling study was conducted to explore the emission, transport, transformation and deposition behaviour of ... -
Biochemistry in Bacterioferritin
(University of Waterloo, 2006)Bacterioferritin, an iron storage protein having a 24-subunit quaternary structure, was used as a model for the study of host-guest interactions and guest encapsulation, making use of its spherical cage-like structure. ...