Entschlüsselung der Reaktionswege für die Ozonolyse von Alken und die Oxidation von Alkanen
Zusammenfassung der Projektergebnisse
My postdoctoral research at University of Pennsylvania focused on characterizing jet-cooled, atmospherically relevant reaction intermediates, including carbon-centered •QOOH radicals and Criegee intermediates. We used various action spectroscopic techniques, such as time-resolved IR pump-UV probe spectroscopy and IR-VUV ion dip spectroscopy, to obtain infrared fingerprints and investigate the time- and energy-resolved unimolecular dissociation dynamics of these intermediates. We were able to probe targeted regions of the potential energy surface in complex, multi-step atmospheric reactions, enabling a detailed study of specific elementary steps. Additionally, using electronic spectroscopy, we characterized the largest stabilized Criegee intermediate under gas-phase conditions to date. This research, highly relevant to atmospheric chemistry, has inspired me to pursue my future research into the fundamental physical chemistry of atmospherically relevant molecules and their broader implications in atmospheric processes.
Projektbezogene Publikationen (Auswahl)
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A five-carbon unsaturated Criegee intermediate: synthesis, spectroscopic identification, and theoretical study of 3-penten-2-one oxide. Chemical Science, 14(38), 10471-10477.
Roy, Tarun Kumar; Liu, Tianlin; Qian, Yujie; Sojdak, Christopher A.; Kozlowski, Marisa C. & Lester, Marsha I.
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Infrared Fingerprint and Unimolecular Decay Dynamics of the Hydroperoxyalkyl Intermediate (•QOOH) in Cyclopentane Oxidation. The Journal of Physical Chemistry A, 128(42), 9240-9250.
Qian, Yujie; Roy, Tarun Kumar; Valente, Dylan S.; Cruz, Emmanuel Moya; Kozlowski, Marisa C.; Della Libera, Andrea; Klippenstein, Stephen J. & Lester, Marsha I.
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Infrared signature of the hydroperoxyalkyl intermediate (·QOOH) in cyclohexane oxidation: An isomer-resolved spectroscopic study. The Journal of Chemical Physics, 161(3).
Roy, Tarun Kumar; Qian, Yujie; Sojdak, Christopher A.; Kozlowski, Marisa C.; Klippenstein, Stephen J. & Lester, Marsha I.
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Infrared spectroscopy of the syn-methyl-substituted Criegee intermediate: A combined experimental and theoretical study. The Journal of Chemical Physics, 160(20).
Zou, Meijun; Hassan, Yarra; Roy, Tarun Kumar; McCoy, Anne B. & Lester, Marsha I.
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Isomer-resolved unimolecular dynamics of the hydroperoxyalkyl intermediate (•QOOH) in cyclohexane oxidation. Proceedings of the National Academy of Sciences, 121(16).
Qian, Yujie; Roy, Tarun Kumar; Jasper, Ahren W.; Sojdak, Christopher A.; Kozlowski, Marisa C.; Klippenstein, Stephen J. & Lester, Marsha I.
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Vibrational spectroscopy and dissociation dynamics of cyclohexyl hydroperoxide. Chemical Science, 15(16), 6160-6167.
Roy, Tarun Kumar; Qian, Yujie; Karlsson, Elizabeth; Rabayah, Rawan; Sojdak, Christopher A.; Kozlowski, Marisa C.; Karsili, Tolga N. V. & Lester, Marsha I.
