Transition properties of X1Σ+, A1Σ−, B1Δ, C1Π, a3Σ+, b3Δ, c3Π, and d3Σ− states of PO+

Zhang, Meng; Shi, Deheng

doi:10.1016/j.jqsrt.2021.107553

Cited by 3 publications

(2 citation statements)

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“…Therefore, the derived column density has to be corrected using the true value of the dipole moment. As in the case of PO + (Zhang and Shi, 2021), transition dipole moments between different electronic states has been computed, obtaining theoretical results in agreement with experiments (Ben Houria et al, 2006;Xing et al, 2012). However, permanent dipole moment measurement for the SO + ( 2 Π) is needed.…”

Section: Conflict Of Interest Statementmentioning

confidence: 52%

“…Thus, our new, and previous coupled cluster calculations (Moussaoui et al, 2003), and those computed with quadratic CI methods (Peterson and Woods, 1990) were not taking into account herein, since multi-configurational calculations are needed to correctly describe this molecule. Recently, high level multi-configurational calculations have been carried out to describe electronic spectroscopic properties of the PO + cation like transition dipole moments between different electronic states (Zhang and Shi, 2021). Previously, multiconfigurational CASSCF calculations have been carried out to compute the permanent dipole moment of PO + (Moussaoui et al, 2003).…”

Section: Appendix B: Calculation Of the Po + Dipole Momentmentioning

confidence: 99%

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Ionise hard: interstellar PO$^{+}$ detection

Rivilla¹,

Concepción²,

Jiménez-Serra³

et al. 2022

Preprint

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We report the first detection of the phosphorus monoxide ion (PO + ) in the interstellar medium. Our unbiased and very sensitive spectral survey towards the G+0.693−0.027 molecular cloud covers four different rotational transitions of this molecule, two of which (J=1−0 and J=2−1) appear free of contamination from other species. The fit performed, assuming Local Thermodynamic Equilibrium conditions, yields a column density of N =(6.0±0.7)×10 11 cm −2 . The resulting molecular abundance with respect to molecular hydrogen is 4.5×10 −12 . The column density of PO + normalised by the cosmic abundance of P is larger than those of NO + and SO + , normalised by N and S, by factors of 3.6 and 2.3, respectively. The N (PO + )/N (PO) ratio is 0.12±0.03, more than one order of magnitude higher than those of N (SO + )/N (SO) and N (NO + )/N (NO). These results indicate that P is more efficiently ionised in the ISM than N and S. We have performed new chemical models that confirm that the PO + abundance is strongly enhanced in shocked regions with high values of cosmic-ray ionisation rates (10 −15 −10 −14 s −1 ), as occurs in the G+0.693−0.027 molecular cloud. The shocks sputter the interstellar icy grain mantles, releasing into the gas phase most of their P content, mainly in the form of PH 3 , which is converted into atomic P, and then ionised efficiently by cosmic rays, forming P + . Further reactions with O 2 and OH produce PO + . The cosmic-ray ionisation of PO might also contribute significantly, which would explain the high N (PO + )/N (PO) observed. The relatively high gas-phase abundance of PO + with respect to other P-bearing species stresses the relevance of this species in the interstellar chemistry of P.

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Section: Conflict Of Interest Statementmentioning

confidence: 52%

Section: Appendix B: Calculation Of the Po + Dipole Momentmentioning

confidence: 99%

Ionise hard: interstellar PO$^{+}$ detection

Rivilla¹,

Concepción²,

Jiménez-Serra³

et al. 2022

Preprint

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Radiative association of P+(3P) and O(3P) for the PO+ formation

Qin

2023

Monthly Notices of the Royal Astronomical Society

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Phosphorus (P) is essential for the development of life since it is a fundamental element in many important biological molecules. Due to its biogenic importance, many astrochemists have begun to investigate the possibility of the P-bearing species formed in interstellar environments. Radiative association (RA) is a possible way for the formation of the phosphorus monoxide ion (PO+) in interstellar and related environments. Laboratory measurements are almost impossible to carry out, so theoretical calculations are essential for investigating such formation mechanism of PO+. The quantum mechanical method is used to obtain its cross sections and rate coefficients. Thirty contributing processes for the computation of the total rate coefficient are considered, including 22 transition dipole processes and 8 permanent dipole processes. The total rate coefficient varies little over the entire temperature range of 1-10000 K and its magnitude is of the order of (4∼8) × 10−17 cm3·s−1. The 2 1Σ+ →X 1Σ+ transition process dominates the formation of PO+ by RA over the entire temperature range considered here. The C 1Π →X 1Σ+ and 2 3Σ+ →a 3Σ+ are also relatively important, but their rate coefficients are about an order of magnitude smaller than that of the 2 1Σ+ →X 1Σ+ channel. The obtained cross sections and rate coefficient can be used to model the P astrochemistry in the interstellar medium.

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Ionize Hard: Interstellar PO+ Detection

Rivilla

Concepción

Jiménez-Serra

et al. 2022

Front. Astron. Space Sci.

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We report the first detection of the phosphorus monoxide ion (PO+) in the interstellar medium. Our unbiased and very sensitive spectral survey toward the G+0.693–0.027 molecular cloud covers four different rotational transitions of this molecule, two of which (J = 1–0 and J = 2–1) appear free of contamination from other species. The fit performed, assuming local thermodynamic equilibrium conditions, yields a column density of N=(6.0 ± 0.7) × 1011 cm−2. The resulting molecular abundance with respect to molecular hydrogen is 4.5 × 10–12. The column density of PO+ normalized by the cosmic abundance of P is larger than those of NO+ and SO+, normalized by N and S, by factors of 3.6 and 2.3, respectively. The N(PO+)/N(PO) ratio is 0.12 ± 0.03, more than one order of magnitude higher than that of N(SO+)/N(SO) and N(NO+)/N(NO). These results indicate that P is more efficiently ionized than N and S in the ISM. We have performed new chemical models that confirm that the PO+ abundance is strongly enhanced in shocked regions with high values of cosmic-ray ionization rates (10–15 − 10–14 s−1), as occurring in the G+0.693–0.027 molecular cloud. The shocks sputter the interstellar icy grain mantles, releasing into the gas phase most of their P content, mainly in the form of PH3, which is converted into atomic P, and then ionized efficiently by cosmic rays, forming P+. Further reactions with O2 and OH produces PO+. The cosmic-ray ionization of PO might also contribute significantly, which would explain the high N(PO+)/N(PO) ratio observed. The relatively high gas-phase abundance of PO+ with respect to other P-bearing species stresses the relevance of this species in the interstellar chemistry of P.

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Transition properties of X1Σ+, A1Σ−, B1Δ, C1Π, a3Σ+, b3Δ, c3Π, and d3Σ− states of PO+

Cited by 3 publications

References 31 publications

Ionise hard: interstellar PO$^{+}$ detection

Ionise hard: interstellar PO$^{+}$ detection

Radiative association of P+(3P) and O(3P) for the PO+ formation

Ionize Hard: Interstellar PO+ Detection

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Transition properties of X1Σ+, A1Σ−, B1Δ, C1Π, a3Σ+, b3Δ, c3Π, and d3Σ− states of PO+

Cited by 3 publications

References 31 publications

Ionise hard: interstellar PO$^{+}$ detection

Ionise hard: interstellar PO$^{+}$ detection

Radiative association of P+(3P) and O(3P) for the PO+ formation

Ionize Hard: Interstellar PO+ Detection

Contact Info

Product

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Transition properties of X1Σ+, A1Σ−, B1Δ, C1Π, a3Σ+, b3Δ, c3Π, and d3Σ− states of PO+