Date of Award
2016
Document Type
Thesis
Degree Name
Bachelors
Department
Natural Sciences
First Advisor
Shipman, Steven
Area of Concentration
Chemistry
Abstract
We present direct rate constant measurements for the reaction of CH2OO+ISP using time resolved cavity enhanced absorption spectroscopy of CH2OO’s B1A’ ← X1A’ transition. We found the reaction to be pressure independent between 15-100 torr and temperature dependent between 296-536 K. Rate constants vary from (1.6±0.1) to (20±2.0) x 10-15 cm3 molec-1 s-1, but exhibit a curved Arrhenius behavior. We extract estimated activation energies, which range from Ea=5.7 kJ mol-1 at room temperature to Ea=40.3 kJ mol-1 at higher temperatures. Quantum chemical calculations of 16 CH2OO+ISP transition states provide transitions state ZPE-inclusive barriers and product wells.
Recommended Citation
Decker, Zachary C. J., "Direct Experimental Determination of the Reaction Kinetics of the Simplest Criegee Intermediate, CH2OO, and Isoprene" (2016). Theses & ETDs. 5188.
https://digitalcommons.ncf.edu/theses_etds/5188