Articles | Volume 23, issue 18
https://doi.org/10.5194/acp-23-10643-2023
https://doi.org/10.5194/acp-23-10643-2023
Research article
 | 
26 Sep 2023
Research article |  | 26 Sep 2023

Reaction dynamics of P(4S) + O2(X3Σg)  →  O(3P) + PO(X2Π) on a global CHIPR potential energy surface of PO2(X2A1): implications for atmospheric modelling

Guangan Chen, Zhi Qin, Ximing Li, and Linhua Liu

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Short summary
We provided an accurate potential energy surface of PO2(X2A1), which can be used for the molecular simulations of the reactive or non-reactive collisions and photodissociation of PO2 in atmospheres. It can also be a reliable component for constructing other larger molecular systems containing PO2. The reaction probability, integral cross sections, and rate constants for P(4S) + O2(X3Σ) → O(3P) + PO((X2Π) are calculated, which might be useful for modelling the P chemistry in atmospheres.
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