Product branching in the photodissociation of oxazole detected by broadband rotational spectroscopy

The photodissociation of oxazole (c-C 3 H 3 NO) following excitation at 193 nm is studied using mm-Wave rotational spectroscopy in a uniform supersonic flow. Molecules entrained in the flow are excited to a ππ* state after which it is believed most relax back to the ground state via ring opening at...

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Veröffentlicht in:Physical chemistry chemical physics : PCCP 2024-11, Vol.26 (43), p.27439-27446
Hauptverfasser: Downes-Ward, Briony, Behzadfar, Abbas, Thawoos, Shameemah, Suits, Arthur G
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Sprache:eng
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Zusammenfassung:The photodissociation of oxazole (c-C 3 H 3 NO) following excitation at 193 nm is studied using mm-Wave rotational spectroscopy in a uniform supersonic flow. Molecules entrained in the flow are excited to a ππ* state after which it is believed most relax back to the ground state via ring opening at the O-C[N] bond with subsequent fragmentation. From the line intensities of the probed products, we obtained the branching fractions for seven different products which are the result of five different dissociation pathways. The detected photoproducts and respective branching fractions (%) are the following: HCN (70.4), HCO (22.8), CH 2 CN (4.2), CH 2 CO (1.0), CH 3 CN (1.0), HNC (0.9), HNCO (0.08). We suspect much of the HCO may be formed in conjunction with the isocyanomethyl radical, CH 2 NC, which we did not probe. We discuss our results in relation to previous work, in particular our own study on the related isomer isoxazole, as well as direct dynamics theoretical simulations from the literature. We also studied the relaxation of a number of vibrationally excited levels of HCN produced at 20 K. The products of the UV photodissociation of oxazole were measured via broadband rotational spectroscopy in a uniform supersonic flow. Seven products were detected associated with five channels, with HCN and HCO as the dominant species observed.
ISSN:1463-9076
1463-9084
1463-9084
DOI:10.1039/d4cp03276d