Honors Theses

Date of Award

2013

Document Type

Undergraduate Thesis

Department

Chemistry and Biochemistry

First Advisor

Nathan Hammer

Relational Format

Dissertation/Thesis

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.

Included in

Chemistry Commons

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