Date of Award
12-2008
Degree Type
Dissertation
Degree Name
Ph.D.
Degree Program
Chemistry
Department
Chemistry
Major Professor
Stevens, Edwin
Second Advisor
Tarr, Matthew A.
Third Advisor
Rick, Steven
Abstract
The results of three very different studies are presented. X-ray diffraction has been utilized for single-crystal structure determinations, fiber diffraction analyses, and in conjunction with molecular modeling of Cellulose IIII. Although each technique is different in its sampling, data acquisition, data treatment, and identification, the common denominator has been the use of x-rays. The single-crystal structure determination of ethylene glycol bis(tropane-3-carboxylate) is presented as an example of the use of modern single-crystal x-ray instrumentation including the use of coupled charged devices (CCDs) as detectors for accurate data collection and rapid elucidation of crystal structures. The structure determination of Cellulose IIII by x-ray diffraction and computer modeling is presented to show how the use of x-rays in weakly diffracting materials can generate a reliable structure and be a key component in model building. Finally, a study is presented in which x-ray fiber diffraction data is utilized to investigate possible correlations between the crystallite orientation, crystallinity, crystallize size and the strength properties of cotton fibers collected from various countries.
Recommended Citation
Moore, Zakhia, "Application of X-ray Diffraction Methods and Molecular Mechanics Simulations to Structure Determination and Cotton Fiber Analysis" (2008). University of New Orleans Theses and Dissertations. 888.
https://scholarworks.uno.edu/td/888
Rights
The University of New Orleans and its agents retain the non-exclusive license to archive and make accessible this dissertation or thesis in whole or in part in all forms of media, now or hereafter known. The author retains all other ownership rights to the copyright of the thesis or dissertation.