Event Title

Experiments in Matrix Isolation: Investigations of Oxygenated Hydrocarbons

Presenter Information

Alaina Gunn, USC Upstate

Location

Breakout Session B: Chemical Sciences

CASB 102

Start Date

8-4-2022 4:15 PM

End Date

8-4-2022 4:30 PM

Description

Often a byproduct of combustion processes such as biomass burning, waste incineration, and electronic waste, oxygenated hydrocarbons are known to be toxic to humans and the environment. They are found in exhaust plumes and have also been found to attach to the surface of soot, creating an oxygen-rich environment that can lead to further oxidation and growth of these toxic compounds. The formation and mechanisms of these large oxygenated hydrocarbons or the reactivity of their complexes with other oxidation species are not well known. Matrix isolation is a technique used to study short-lived molecular species which are difficult or even impossible to study using other methods. Through the use of argon matrices, transient hydrocarbon species (radicals, intermediates, complexes) of atmospheric, and combustion are the targets within our research program. Infrared (IR) spectroscopy will be used to probe the vibrational spectra of these species within the matrix environment while annealing and photolysis techniques will provide an understanding of the mechanisms of decomposition and secondary reactivity that these species can undergo. Currently, our group is performing quantum chemical calculations to aid in assignments of vibrational bands for each experiment, and these results will be presented here along with an overview of the matrix isolation and IR spectroscopy techniques. Initial targets of study for our matrix isolation experiments are benzofuran derivatives and complexes which hold significant applications in atmospheric and human health applications. These include 1-benzofuran, 2-benzofuran, 2,3-dihydrobenzofuran, and phthalane along with their complexes with water. Current results and the scope of future work will be discussed. Implications for the use of pyrolysis to form other atmospheric- and combustion-relevant hydrocarbon species will also be discussed.

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Apr 8th, 4:15 PM Apr 8th, 4:30 PM

Experiments in Matrix Isolation: Investigations of Oxygenated Hydrocarbons

Breakout Session B: Chemical Sciences

CASB 102

Often a byproduct of combustion processes such as biomass burning, waste incineration, and electronic waste, oxygenated hydrocarbons are known to be toxic to humans and the environment. They are found in exhaust plumes and have also been found to attach to the surface of soot, creating an oxygen-rich environment that can lead to further oxidation and growth of these toxic compounds. The formation and mechanisms of these large oxygenated hydrocarbons or the reactivity of their complexes with other oxidation species are not well known. Matrix isolation is a technique used to study short-lived molecular species which are difficult or even impossible to study using other methods. Through the use of argon matrices, transient hydrocarbon species (radicals, intermediates, complexes) of atmospheric, and combustion are the targets within our research program. Infrared (IR) spectroscopy will be used to probe the vibrational spectra of these species within the matrix environment while annealing and photolysis techniques will provide an understanding of the mechanisms of decomposition and secondary reactivity that these species can undergo. Currently, our group is performing quantum chemical calculations to aid in assignments of vibrational bands for each experiment, and these results will be presented here along with an overview of the matrix isolation and IR spectroscopy techniques. Initial targets of study for our matrix isolation experiments are benzofuran derivatives and complexes which hold significant applications in atmospheric and human health applications. These include 1-benzofuran, 2-benzofuran, 2,3-dihydrobenzofuran, and phthalane along with their complexes with water. Current results and the scope of future work will be discussed. Implications for the use of pyrolysis to form other atmospheric- and combustion-relevant hydrocarbon species will also be discussed.