Summary
We validated cornerstone lines in H₂, CO, OH, CH, CN, H₂O, and NH₃. Predicted wavelengths and frequencies align with reference values to within rounding across rotation, vibration, inversion, and hyperfine regimes.
What was checked
- H₂: rotation J=0→2 at 28.2 µm; vibration v=0→1 at 2.12 µm.
- CO: J=1→0 at 115.27 GHz (≈2.60 mm); J=2→1 at 230.54 GHz (≈1.30 mm); v=0→1 at 4.67 µm.
- OH: hyperfine lines at 1612, 1665, 1667, 1720 MHz (≈18–17 cm).
- CH: fundamental radio near 3.3 GHz (≈9.1 cm).
- CN: rotation J=1→0 at 113 GHz (≈2.65 mm); J=2→1 at 226 GHz (≈1.33 mm).
- H₂O: maser at 22.235 GHz (≈1.35 cm); fundamentals near 6.27 µm, 2.66 µm, 2.73 µm.
- NH₃: inversion at 23.694 GHz (≈1.25 cm).
Why it matters
One compact procedure reproduces laboratory standards across diverse molecules and bands. This anchors the grid for astrochemistry, atmospheric sensing, and materials diagnostics while keeping a single interpretation layer.
Limits and next steps
Line positions shift with pressure, temperature, fields, and isotopes. Next steps: publish residuals per line, add uncertainty bands, and expose a query API by molecule and transition.