Document Type


Date of Degree

Summer 2019

Degree Name

PhD (Doctor of Philosophy)

Degree In


First Advisor

MacGillivray, Leonard R

First Committee Member

Geoff G Z Zhang

Second Committee Member

Bowden, Ned

Third Committee Member

Gloer, James

Fourth Committee Member

Pigge, Christopher


The synthesis of new molecules is often initiated with the desire to create unique materials that have specific functions and/or properties. The materials are often used in areas such as pharmaceuticals, medical imaging, and energetics. Preparation of these materials utilizes fundamental rules that define how molecules interact with each other in a solid. My research focuses on employing the established concepts to predict how certain molecules interact and assessing the solid form that results (crystal structure) from these interactions.

The solids investigated in my research are composed of two different molecules that can combine in various ways based on complementary interactions. Once the two molecules interact to form a crystal structure, external stimuli, such as heat, can cause the atoms within the crystal to move in specific directions to allow for events such as water loss, or it can initiate atoms to rearrange completely to form a new molecule. My work evaluates how the crystal structure changes when the atoms move and how the interactions between the molecules are impacted. The results of my research indicate the crystal structure can be controlled by aspects such as physical size and the properties of the individual molecules within the crystal.

Additionally, my work involves assessing new ways to synthesize the described molecules by using technology that avoids the use of harmful solvents. My research has demonstrated a new mixing method that can prepare molecules in the lab and production facilities that reduces the amount of solvent needed and improves sustainability through chemistry.


acoustic mixing, BINOL, cocrystals, crystal engineering, crystal structures, supramolecular chemistry


xx, 151 pages


Includes bibliographical references (pages 141-151).


Copyright © 2019 Katherine Elizabeth Peterson

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