Phosphenic isocyanate (O<sub>2</sub>PNCO): gas-phase generation, characterization, and photodecomposition reactions

Zhu, Bifeng; Jiang, Junjie; Lü, Bo; Li, Xiaolong; Jiang, Xin; Rauhut, Guntram; Zeng, Xiaoqing

doi:10.1039/d2cc03178g

Cited by 2 publications

References 53 publications

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Light induced reactions in cryogenic matrices (highlights 2021–2022)

Fausto,

Nikitin,

Nogueira

2023

Photochemistry

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This chapter surveys research on light induced reactions of organic molecules investigated in cryogenic matrices that has been reported during 2021 and 2022. It highlights studies dealing with conformational changes, tautomerizations and other structural isomerizations induced either by ultraviolet/visible or infrared light, as well as photofragmentation reactions. Emphasis is given to reactive intermediates, including nitrenes, carbenes and radicals. The studies featured in the present review are examples of recent applications of the matrix isolation method, coupled with spectroscopic probing, to these areas of investigation.

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Light induced reactions in cryogenic matrices (highlights 2021–2022)

Fausto,

Nikitin,

Nogueira

2023

Photochemistry

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Spectroscopic Identification and Photochemistry of Astrochemically Relevant Phosphorus-bearing Molecules [O, C, N, P] and [2O, C, N, P]

Zhu,

Wang,

Jiang

et al. 2024

ApJ

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Diatomic molecules phosphorus monoxide (PO) and phosphorus mononitride (PN) are the main reservoirs of gas-phase phosphorus in interstellar and circumstellar environments, indicating the possibility of forming new phosphorus-bearing molecules through reactions with other interstellar species. To explore the astrochemistry of PO and PN, new simple phosphorus-bearing molecules [O, C, N, P] and [2O, C, N, P] were generated in the gas phase and isolated in cryogenic matrices for characterization with matrix-isolation IR and UV/vis spectroscopy in combination with calculations at the CCSD(T)-F12a/VTZ-F12 level of theory. In an inert argon matrix, OPCN isomerizes to OPNC upon UV-light irradiation at 365 nm, followed by successive isomerizations to PNCO and POCN with concomitant dissociation to diatomic PN and CO under further irradiation at 193 nm. By analogy, the isomerization of O2PCN to O2PNC and OPNCO followed by fragmentation to OPN/CO and PN/CO2 occurs in the matrix upon irradiation at 193 nm. In a chemically active CO ice, the photolytic reaction of OPCN with CO yields CO2 and PCN, and O2PCN reacts with CO by forming OPCN and CO2, in which the photochemical networks for these P-bearing species linking the astrochemically important PN and PO have been proposed. The experimental identification of these phosphorus-bearing molecules is supported by quantum chemical calculations, and the spectroscopic data may aid in their detection in the interstellar and circumstellar medium.

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Phosphenic isocyanate (O₂PNCO): gas-phase generation, characterization, and photodecomposition reactions

Abstract: Phosphenic isocyanate (O2PNCO), a novel phosphorus-containing small molecule has been generated by thermolysis of a dioxaphospholane-based precursor. The characterization of O2PNCO with IR and UV-vis spectroscopy in solid N2 and...

Cited by 2 publications

References 53 publications

Light induced reactions in cryogenic matrices (highlights 2021–2022)

Light induced reactions in cryogenic matrices (highlights 2021–2022)

Spectroscopic Identification and Photochemistry of Astrochemically Relevant Phosphorus-bearing Molecules [O, C, N, P] and [2O, C, N, P]

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Phosphenic isocyanate (O2PNCO): gas-phase generation, characterization, and photodecomposition reactions

Abstract: Phosphenic isocyanate (O2PNCO), a novel phosphorus-containing small molecule has been generated by thermolysis of a dioxaphospholane-based precursor. The characterization of O2PNCO with IR and UV-vis spectroscopy in solid N2 and...

Cited by 2 publications

References 53 publications

Light induced reactions in cryogenic matrices (highlights 2021–2022)

Light induced reactions in cryogenic matrices (highlights 2021–2022)

Spectroscopic Identification and Photochemistry of Astrochemically Relevant Phosphorus-bearing Molecules [O, C, N, P] and [2O, C, N, P]

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About

Phosphenic isocyanate (O₂PNCO): gas-phase generation, characterization, and photodecomposition reactions