Date of Award
2018
Degree Type
Dissertation
Degree Name
Master of Science in Chemistry
Department
Chemistry
First Advisor
Ball, David
Subject Headings
Chemistry
Abstract
Gaussian and GaussView software were utilized to characterize interactions between choline salts and urea, which form a deep eutectic solvent (DES). The initial system studied was choline chloride and urea, at a 1:2 molar ratio, which is also known as reline. Subsequent systems, substituting the chloride anion with other anions (fluoride, bromide, and hydroxide), were studied to show that the system with greater calculated strength of interaction will have more non-ideal physical properties, such as melting point (found in literature). Observations regarding structure related to counterion electron density and hydrogen bonding were made throughout the studies.
Recommended Citation
Kellat, Libby Nicole, "Model Chemistry Study Of Choline And Urea Based Deep Eutectic Solvents" (2018). ETD Archive. 1115.
https://engagedscholarship.csuohio.edu/etdarchive/1115
