Date of Graduation
Master of Science in Chemistry
College of Arts and Sciences
Giovanni Meloni, Ph.D.
Janet Yang, Ph.D.
William Melaugh, Ph.D.
This thesis investigates the combustion potential of 2-phenylethanol and the superalkali properties of small lithium substituted silicon compounds. All combustion experiments were performed at the Advanced Light Source of Lawrence Berkeley National Laboratory at the Chemical Dynamics Beamline 9.0.2. The chlorine initiated oxidation of 2PE was investigated at 298 and 550 K using a multiplex photoionization mass spectrometer, coupled with the tunable vacuum ultraviolet radiation. Reaction products were identified using kinetic time traces and photoionization spectra.
Additionally, the stability of small superalkali silicon-lithium compounds has also been investigated. All structures and energetics were calculated using the CBS-QB3 composite method.
The first chapter of this thesis discusses atmospheric pollution, engine technology, biofuels and other alternative energy sources. The ALS, the experimental apparatus and their components are explained throughout Chapter 2. Chapter 3 explains the theory behind the computational methodology, as well as how to analyze the results obtained from the experimental apparatus. Chapter 4 evaluates the chlorine initiated oxidation of 2-phenylethanol. Chapter 5 investigates the superalkali properties of small silicon-lithium compounds.
Otten, Adam, "The Investigation of the Chlorine Initiated Oxidation of 2-Phenylethanol and Stability of Superalkali Lithium Substituted Silyls." (2018). Master's Theses. 1159.