Articles | Volume 20, issue 16
Atmos. Chem. Phys., 20, 10015–10027, 2020
https://doi.org/10.5194/acp-20-10015-2020
Atmos. Chem. Phys., 20, 10015–10027, 2020
https://doi.org/10.5194/acp-20-10015-2020

Research article 27 Aug 2020

Research article | 27 Aug 2020

A semi-empirical potential energy surface and line list for H216O extending into the near-ultraviolet

Eamon K. Conway et al.

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Cited articles

Barber, R. J., Tennyson, J., Harris, G. J., and Tolchenov, R. N.: A high accuracy computed water line list, Mon. Not. R. Astron. Soc., 368, 1087–1094, https://doi.org/10.1111/j.1365-2966.2006.10184.x, 2006. a
Borger, C., Beirle, S., Dörner, S., Sihler, H., and Wagner, T.: Total column water vapour retrieval from S-5P/TROPOMI in the visible blue spectral range, Atmos. Meas. Tech., 13, 2751–2783, https://doi.org/10.5194/amt-13-2751-2020, 2020. a
Boyarkin, O. V., Koshelev, M. A., Aseev, O., Maksyutenko, P., Rizzo, T. R., Zobov, N. F., Lodi, L., Tennyson, J., and Polyansky, O. L.: Accurate bond dissociation energy of water determined by triple-resonance vibrational spectroscopy and ab initio calculations, Chem. Phys. Lett., 568-569, 14–20, https://doi.org/10.1016/j.cplett.2013.03.007, 2013. a
Bubukina, I. I., Polyansky, O. L., Zobov, N. F., and Yurchenko, S. N.: Optimized semiempirical potential energy surface for H216O up to 26000 cm−1, Optics Spectrosc., 110, 160–166, https://doi.org/10.1134/S0030400X11020032, 2011. a, b, c, d, e, f, g, h, i
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Water vapour has a complex spectrum and absorbs from the microwave to the near-UV where it dissociates. There is limited knowledge of the absorption features in the near-UV, and there is a large disagreement for the available models and experiments. We created a new ab initio model that is in good agreement with observation at 363 nm. At lower wavelengths, our calculations suggest that the latest experiments overestimate absorption. This has implications for trace gas retrievals in the near-UV.
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