Active Physics & Astronomy

Extending ExoMol into the ultraviolet: Sulphur containing molecules

In plain English

AI plain-English summary

When a sulphur-containing molecule in an exoplanet’s atmosphere absorbs ultraviolet light, it can break apart at a rate that depends strongly on the molecule’s temperature—a detail current models largely ignore. The ExoMol database already provides the molecular data astronomers use to identify chemicals in exoplanet atmospheres, brown dwarfs, and cool stars. But it covers only visible and infrared light. Ultraviolet radiation drives key chemical reactions—especially photodissociation—that shape an atmosphere’s composition. Without temperature-dependent UV data, models of hot Jupiter or super-Earth atmospheres remain incomplete. This project will calculate how UV light affects water and sulphur-containing molecules (H₂S, SO₂, HS, SO, S₂) at different temperatures, starting from first-principles quantum chemistry and adjusting the results against known low-temperature cross sections. If successful, the work will add a new UV layer to the ExoMol database, freely available online. Astronomers will be able to model atmospheric chemistry more accurately, improving interpretations of exoplanet spectra from telescopes like JWST and Ariel. This is fundamental science—it will not change daily life directly—but it builds the kind of molecular knowledge that, in the past, has underpinned everything from climate modelling to industrial gas sensing.

View original technical description
The ExoMol project provides spectroscopic and other data on molecules which are used world-wide for studies of exoplanets as well as other astronomical objects such as brown dwarfs and cool stars. It is proposed to expand the database to cover process stimulated by ultraviolet (UV) radiation. Both photoadsorption and photodissociation will be studied as a function temperature of the absorbing molecule: initial studies have already shown that the rate of photodissociation, a key parameter in the atmospheric chemistry of exoplanets, can show strong dependence on the underlying temperature of the molecule in question. The proposed project will focus on the effects of UV light on water, important in many atmospheres and, given the widespread interest in sulphur chemistry, sulphur-containing molecules such as H2S, SO2, HS, SO and S2. Studies will start from first principle electronic structure calculations which provide potential energy surfaces and transition dipole moment surfaces; these surfaces will be adjusted so that nuclear-motion calculations using them reproduce the low temperature cross sections such as those available in the Leiden database and elsewhere. Calculations will then be repeated as a function of molecular temperature. All the results will be made available via the ExoMol database, www.exomol.com.

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Researchers

Jonathan Tennyson (Principal Investigator)

Related Research

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Original classification

Research and Innovation

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