Alpha-pinene oxidation is initiated via photolytically generated atomic oxygen O(3P). Reactions were analyzed at 550 K under 4 torr and 750 K at 5 torr. Reaction products are analyzed using multiplexed photoionization mass spectrometry. Vacuum ultraviolet synchrotron radiation is generated at the Advanced Light Source at the Lawrence Berkeley National Laboratory. Kinetic time traces are used to identify primary products, which are then characterized by comparing the experimental photoionization spectra to literature and/or simulated spectra. Calculations using the CBS-QB3 composite method suggest oxygen addition is the favorable pathway vs hydrogen abstraction, agreeing with experimental data. Branching fractions have determined for identified products. Singlet and triplet potential energy scans are underway to verify reactions pathways.

Oxidation of alpha-pinene initiated by O(3P) and analyzed via synchrotron photoionization

ACS Fall 2020 Virtual Meeting

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