Table 3
List of chemical reactions involving phosphorus-bearing species, computed using the Nautilus code, and analysed across the different astrophysical models explored in this study (see Sect. 4).
| Reaction | Rate coefficients | Remark | Method | ||
|---|---|---|---|---|---|
| α(cm3 s−1) | β | γ(K) | |||
| PN + C ⟶ CN + P | 1.29 × 10−10 | 0.025 | −10.0 | This work | MESS(a) |
| P + CN ⟶ PN + C | 2.15 × 10−10 | 0.118 | 17000 | This work | MESS(a) |
| N + CP ⟶ P + CN | 1.74 × 10−10 | 0.172 | 0 | This work, new | MESS(a) |
| N + CP ⟶ C + PN | 9.86 × 10−12 | 0.634 | 0 | This work, new | MESS(a) |
| C + PN ⟶ N + CP | 1.09 × 10−11 | 1.18 | 9669 | This work | MESS(a) |
| P + CN ⟶ N + CP | 6.01 × 10−10 | 0.014 | 27394 | This work | MESS(a) |
| N + PN ⟶ P + N2 | 1.09 × 10−11 | 1.02 | 7919 | Gomes et al. (2023b) | MESS(b) |
| N + PH ⟶ P + NH | 5.62 × 10−13 | 0.63 | 0 | Gomes et al. (2023a) | VRC-TST(c) |
| P + NH ⟶ N + PH | 1.93 × 10−13 | 1.63 | 3298 | Gomes et al. (2023a) | VRC-TST(c) |
| P + NH ⟶ PN + H | 9.3 × 10−11 | 0.18 | 0.24 | Gomes et al. (2023a) | VRC-TST(c) |
| PN + H ⟶ P + NH | 6.52 × 10−13 | 1.91 | 23525 | Gomes et al. (2023a) | VRC-TST(c) |
| PH + N ⟶ PN + H | 8.8 × 10−11 | 0.18 | 1.01 | Gomes et al. (2023a) | VRC-TST(c) |
| PN + H ⟶ PH + N | 2.63 × 10−13 | 2.25 | 25333 | Gomes et al. (2023a) | VRC-TST(c) |
| P + O2 ⟶ PO + O | 1.44 × 10−12 | 1.66 | 704 | Gomes et al. (2022) | MESS(b) |
| PO + O ⟶ P + O2 | 1.8 × 10−13 | 0.79 | 10054 | Douglas et al. (2022) | Detailed balance(d) |
| P + OH ⟶ PO + H | 2.28 × 10−10 | 0.16 | 0.37 | García de la Concepción et al. (2021) | MESS(b) |
| PO + H ⟶ P + OH | 4.2 × 10−13 | 0.82 | 16791 | Douglas et al. (2022) | Detailed balance(d) |
| PH + OH ⟶ P + H2O | 1.0 × 10−10 | 0.167 | 0 | Douglas et al. (2022) | Collision capture rate(d) |
| P + H2O ⟶ PH + OH | 9.0 × 10−10 | 0 | 24319 | Douglas et al. (2022) | Detailed balance(d) |
| PH + O ⟶ PO + H | 2.0 × 10−10 | 0 | 0 | Douglas et al. (2022) | Collision capture rate(d) |
| PO + H ⟶ PH + O | 2.8 × 10−10 | 0.26 | 34462 | Douglas et al. (2022) | Detailed balance(d) |
| PO + NH ⟶ PN + OH | 1.0 × 10−10 | 0 | 0 | Douglas et al. (2022) | Collision capture rate(d) |
| PN + OH ⟶ PO + NH | 2.6 × 10−10 | 0 | 13002 | Douglas et al. (2022) | Detailed balance(d) |
| PO + Si ⟶ P + SiO | 2.1 × 10−10 | 0.10 | 0 | Douglas et al. (2022) | MESMER(e) |
| P + H2 ⟶ PH + H | 6.7 × 10−10 | 0 | 17349 | Douglas et al. (2022) | Transition state theory(d) |
| PH + H ⟶ P + H2 | 6.7 × 10−11 | 0 | 346 | Douglas et al. (2022) | Detailed balance(d) |
| P + NO ⟶ PN + O | 7.1 × 10−11 | 0 | 6427 | Douglas et al. (2022) | MESMER(e) |
| PN + O ⟶ P + NO | 1.0 × 10−10 | 0 | 3158 | Douglas et al. (2022) | MESMER(e) |
| PN + O ⟶ PO + N | 2.7 × 10−10 | 0 | 744 | Douglas et al. (2022) | MESMER(e) |
| PO + N ⟶ P + NO | 2.55 × 10−12 | 0 | 0 | Millar et al. (1987) | Estimation(f) |
| PO + N ⟶ PN + O | 1.53 × 10−11 | −0.31 | 0 | This work(g) | MESS(a) |
Notes. (a)Calculated using the master equation system solver package as described in Sect. 2.2. (b)Calculated using the master equation system solver package as described in the associated reference. (c)Variable reaction coordinate transition state theory. (d)See the associated reference for further details. (e)Calculated using the Master Equation Solver for Multi-Energy well Reactions program. See the associated reference for further details. (f)See the supplementary information file for discussion. (g)Obtained in the present work by employing the master equation system solver package (as described in Sect. 2.2) based on accurate electronic structure calculations carried out in our previous work (Souza et al. 2021) on the PNO system. See the supplementary information file for a further discussion.
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