Direct versus Indirect Photodissociation of Isoxazole from Product Branching: A Chirped-Pulse Fourier Transform mm-Wave Spectroscopy/Pulsed Uniform Flow Investigation

The Journal of Physical Chemistry. a
Nureshan DiasBernadette M Broderick

Abstract

The UV photodissociation of isoxazole (c-C3H3NO) is studied in this work by chirped-pulse Fourier transform mm-wave spectroscopy in a pulsed uniform Laval flow. This approach offers a number of advantages over traditional spectroscopic detection methods due to its broadband, sub-MHz resolution, and fast-acquisition capabilities. In coupling this technique with a quasi-uniform Laval flow, we are able to obtain product branching fractions in the 193 nm photodissociation of isoxazole. Five dissociation channels are explored through direct detection of seven different photoproducts. These species and their respective branching fractions (%) include the following: HCN (53.8 ± 1.7), CH3CN (23.4 ± 6.8), HCO (9.5 ± 2.3), CH2CN (7.8 ± 2.9), CH2CO (3.8 ± 0.9), HCCCN (0.9 ± 0.2), and HNC (0.8 ± 0.2). Guided by previous electronic structure and dynamics simulations, we are able to elucidate the dissociation dynamics that govern the final product branching fractions observed in this work, which differ significantly from previous reports on the thermal decomposition of isoxazole. Interestingly, both direct and indirect dynamics contribute to its dissociation, and clear signatures of both are manifested in the relative branching ratios obtain...Continue Reading

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Citations

Apr 4, 2020·The Journal of Physical Chemistry. a·Ting GengRichard D Thomas
Dec 28, 2021·The Journal of Physical Chemistry Letters·Ranil M GurusingheArthur G Suits

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