Line-strength of the 1.27-μm atmospheric transition of oxygen

Quantum‐chemical study of the singlet oxygen emission

“…At r = 1.21 Å we get μ 0 = 0.0028 ℏ. Only at larger distances these rotational effects and deviations from the old formulas 38 are more pronounced; at r = 1.55 Å the ρ and σ parameters are close to results of spectral fitting by Bellary and Balasubramanian 18. This is quite reasonable since the higher rotational levels, where the deviations are obvious, include longer internuclear distances.…”

“…Substitution ρ = σ = 0 in the expressions of the rotational line‐strengths presented in Ref. 18 reproduces the formulas obtained for intermediate Hund case (a–b) without simultaneous account of the Coriolis and SOC corrections 38. Fitting the experimental data yields ρ = −0.002 and σ = 0.0015 18.…”

“…The e parity rotational sublevels of the X 3 Σ and X 3 Σ states are mixed in rotational terms F 1 ( J ) and F 3 ( J ), while the f parity rotational sub‐level X 3 Σ corresponds to the F 2 ( J ) rotational term 1, 18, 36. Comparison with the observed lines intensity for the P,Q,R branches can be done for the a 1 Δ g − X 3 Σ( F i ) transitions by using the eigenfunctions of rotational sublevels of the X 3 Σ state 38 …”

“…The J ‐dependent coefficients c J and s J for the X 3 Σ state of O 2 molecule are well known 1, 18, 38. Bellary and Balasubramanian 18 have presented the line‐strength expressions using more complicated formulas of the types (15), (16) and (17) which includes additional terms accounting SOC mixing between triplet states.…”