When theory meets experiment
In understanding the spectroscopic properties of organic molecules, years of research have shown that a combination of experimental data and theoretical calculations are crucial for having the full picture of the fundamental processes governing photo-absorption. Usually, the work is divided between experimentalists taking care of the measurements and the theoreticians making advanced quantum chemical calculations.
With a solid background in different levels of quantum chemical theory, PhD student Pedro Alfieri Schadeck Randi used the NEPHEWS Twinning programme to cross the border between experiment and theory, via a visit to the ASTRID2 AU-UV beamline for a measurement campaign on gas phase photo-absorption spectroscopy. During this one-week visit, he gained valuable insight into how the data are collected, quality checked and worked up into a final UV-VUV spectrum and by the end took complete control of the measurements, gaining valuable insight into the full scientific process, seamlessly joining the world of experiments and theory.