Studying the Effects of Hydrogen Bonding in 1H-1,2,3-Triazole and Its Derivatives

Wallace, Leah Alexandra (2018) Studying the Effects of Hydrogen Bonding in 1H-1,2,3-Triazole and Its Derivatives. Undergraduate thesis, under the direction of Nathan Hammer from Chemistry and Biochemistry, University of Mississippi.


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1,2,3-triazole is used as a building block in many pharmaceutical drugs. The molecule has several derivatives that are useful in other areas including treating fungal infections and in dealing with some environmental issues. One of its derivatives, benzotriazole, is commonly used as an inhibitor of corrosion through the formation of a copper-benzotriazole complex. One area of particular interest in studying triazoles is the ability of these molecules to tautomerize. The hydrogen atom can move from the 1H position to the 2H position and this transfer is thought to be affected by solvent interactions. Here, we study the effects of hydrogen bonding on triazoles by interacting 1H-1,2,3-triazole and benzotriazole with water. Techniques used to study the hydrogen bonding complexes include Raman and infrared spectroscopies and quantum chemistry calculations. Another area of interest is elucidating the liquid structure of 1H-1,2,3-Triazole and its long range structure. This is accomplished by comparing experimental spectroscopic results to quantum chemistry calculations.

Item Type: Thesis (Undergraduate)
Creators: Wallace, Leah Alexandra
Student's Degree Program(s): B.S. in Chemistry
Thesis Advisor: Nathan Hammer
Thesis Advisor's Department: Chemistry and Biochemistry
Institution: University of Mississippi
Subjects: Q Science > QD Chemistry
Depositing User: Leah Alexandra Wallace
Date Deposited: 16 May 2018 22:02
Last Modified: 16 May 2018 22:02

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