Theses and Dissertations
Date of Award
12-2021
Document Type
Thesis
Degree Name
Master of Science (MS)
Department
Chemistry
First Advisor
Dr. Wei Lin
Second Advisor
Dr. Shervin Fatehi
Third Advisor
Dr. Evangelia Kotsikorou
Abstract
This study combines computational chemistry and microwave spectroscopy to simulate the behavior of two molecules: cyclohexanecarboxylic acid and chlorosulfonic acid. In this thesis, cyclohexanecarboxylic acid will be observed on its own. On the other hand, chlorosulfonic acid will be observed on its own as well as its interaction with one, two, and three water molecules. Chapter 1: Introduction will provide insight on published literature related to cyclohexanecarboxylic acid, chlorosulfonic acid, and perfluoroalkyl substances. Chapter 2: Computational Chemistry will provide the reader with information about the foundation of computational chemistry including theory and development of the science. Chapter 3: Microwave Spectroscopy explains the function and theory of the instrumentation used to measure the energy of excited molecules undergoing rotational transitions. Additionally, this chapter explains the relationship between computational chemistry and the experimental process of microwave spectroscopy. Chapter 4: Results of Cyclohexanecarboxylic Acid and Chapter 5: Results of Chlorosulfonic Acid and its Hydrates both focus on their respective molecules’ theoretical and experimental results.
Recommended Citation
Rodriguez, Diego Erik, "Microwave Spectroscopy of Cyclohexanecarboxylic Acid, Chlorosulfonic Acid, and Its Interaction with Water" (2021). Theses and Dissertations. 955.
https://scholarworks.utrgv.edu/etd/955
Comments
Copyright 2021 Diego E. Rodriguez. All Rights Reserved.
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