A Raman Spectroscopic Study of the Effects of Hydrogen Bonding on 1,2,3-Triazole

Craig, Anna (2013) A Raman Spectroscopic Study of the Effects of Hydrogen Bonding on 1,2,3-Triazole. Undergraduate thesis, under the direction of Nathan Hammer from Chemistry & Biochemistry, The University of Mississippi.

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Abstract

The goal of this thesis is to analyze the effects of hydrogen bonding on liquid 1H- 1,2,3-triazole. Spectra of neat 1H-1,2,3-triazole are compared to simulated spectra and are found to differ greatly. The experimental spectrum, however, matches the simulated spectra of 1H-1,2,3-triazole dimers very well. This suggests that dimers play a large role in the liquid structure of 1H-1,2,3-triazole. Though tautomerism is thought to play a large role in the vibrational behavior of 1,2,3- triazole, the Raman spectra obtained here suggest that molecular dimers dominate the liquid state much more so than tautomerism. Even in aqueous solution, the simulated spectra of dimers hydrogen bonded with water networks match the experimental data very well.

Item Type: Thesis (Undergraduate)
Creators: Craig, Anna
Student's Degree Program(s): B.A. Chemistry
Thesis Advisor: Nathan Hammer
Thesis Advisor's Department: Chemistry & Biochemistry
Institution: The University of Mississippi
Subjects: Q Science > QD Chemistry
Depositing User: Miss Anna Craig
Date Deposited: 06 May 2015 18:49
Last Modified: 06 May 2015 18:49
URI: http://thesis.honors.olemiss.edu/id/eprint/294

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