Honors Theses
Date of Award
Spring 4-30-2020
Document Type
Undergraduate Thesis
Department
Chemistry and Biochemistry
First Advisor
Nathan Hammer
Second Advisor
James Cizdziel
Third Advisor
Susan Pedigo
Relational Format
Dissertation/Thesis
Abstract
3,6-dichloro-2-methoxy benzoic acid, more commonly known as Dicamba, is the active ingredient in an array of pesticides used on farmlands across the globe. Dicamba’s mode of action works by mimicking the plant hormone auxin, which is synonymous to growth hormones in mammals. The mimicking of auxin results in excessive elongation and growing, which is eventually fatal for plants when the rate of growth can no longer be sustained. Dicamba has risen in prominence in recent years due to drift damage as a result of Dicamba’s high volatility. Having the ability to identify Dicamba is crucial for the agricultural industry. The purpose of this experiment was to study intermolecular interactions involving Dicamba using Raman Spectroscopy and computational chemistry, since there has not been any Raman spectrum, experimental or theoretical, referenced or taken. In this study, both theoretical and experimental Raman spectra were acquired. In addition, theoretical water calculations were studied, and the lowest-energy conformations for systems with one and two water molecules were found. These water calculations showed red shifts or decreases in energy for carbonyl and O-H stretching vibrational modes.
Recommended Citation
Johnson, James, "Spectroscopic and Computational Studies of the Agricultural Active Ingredient Dicamba" (2020). Honors Theses. 1426.
https://egrove.olemiss.edu/hon_thesis/1426
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