Using new theory to predict how molecules fall apart when excited by light

What is it about?

We use a new theoretical method to predict the outcome of a state-of-the-art experiment. The experiment will produce a "molecular movie" of an organic molecule (cyclobutanone) as it falls apart after being excited by light. This paper forms part of a community challenge to predict the result of this upcoming experiment. This community challenge is the first of its kind in the field, and will help to stimulate the development of more accurate theoretical methods for understanding how molecules behave when they interact with light.

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Photo by Clyde He on Unsplash

Photo by Clyde He on Unsplash

Why is it important?

Understanding the interaction of molecules and light is important to help understand vital processes in atmospheric chemistry, such as the destruction of pollutants by the sun's rays. It is also important in understanding the chemistry that happens in deep space between stars. An understanding of this chemistry is required to in order to know what molecules can be formed by non-biological processes, and what molecules could be markers of life beyond our own planet.