Year: 2025
Type: article
Abstract: We estimated radiative association rate coefficients for P(4S) atoms and P+(3P) ions interacting with P(4S) and N(4S) atoms to form P2+ and PN+ cations, respectively. The required potential energy curves of P2+ and PN+ and the transition dipole moments coupling the states of interest were obtained using the multi-reference configuration interaction approach with a Davidson correction (MRCI+Q). The rate coefficients were obtained from the cross-sections, which were computed using a quantum mechanical method. The maximum rate constant values we predict are 3.13×10−19 cm3 s−1 at 10 K for the PN+ cation and 1.66×10−16 cm3 s−1 at 3500→6000 K for the P2+ cation. For the convenience of astrochemical applications, the thermal rate constants were fitted to the standard equation, $\[k(T)=A(\frac{T}{300})^{\alpha} e^{\beta / T}\]$.
Authors: Qinghui Wei, Yang Chen, Amaury A. de Almeida, Carmen M. Andreazza, Bing Yan
Language: English
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W7111361841
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