Better insight into molecular interactions
This sketch demonstrates the principle of measurement which enables to address atom-specific and state-dependent emission of photons. With the help of first principles theory the spectral features can be associated with molecular orbitals. © Uni Rostock
How exactly atoms and molecules in biochemical solutions or at solid-liquid interfaces do interact, is a question of great importance. Answers will provide insights at processes in catalysts, smart functional materials and even physiological processes in the body, which are essential for health. Until now, scientists could have a look at these interactions by methods of spectroscopy, but it was hard to distinguish the many different interactions, which take place simultaneously.
“Basically we are looking at how atoms and molecules interact in biochemical materials in solution”, says Professor Dr. Emad Flear Aziz, leader of the Young Investigator Group for Functional Materials in Solution at the HZB and Professor at Freie Universität Berlin. Their now published work is based on a discovery by Aziz’ team made three years before: They then analyzed samples with x-ray spectroscopy and observed the disappearance of photons at some specific photon energy. These results have been replicated by other teams worldwide. To explain this effect, Aziz and colleagues proposed a “dark channel mechanism”, which should provide information about binding processes and interactions between atoms or molecules. This explanation stirred a big debate among scientists.
Now they have gathered arms with theoretical physicists around Professor Oliver Kühn from the University of Rostock in order to get a coherent picture: Aziz’ team sharpened the experimental methods further using a new approach to high resolution spectroscopy. In order to understand, how the spectral findings are linked to binding and structural processes inside the sample, Oliver Kühn and his postdoc Sergey Bokarev provided a theoretical tool, based on ab initio calculations of energy levels inside the molecules. “We can map all electronic states in the systems we probe, and we can distinguish those which are involved in building bonds with neighbors from those which are not involved”, Aziz explains. Metaphorically speaking: if the interacting molecules produce a sort of party chatter, the scientists are now able to listen to specific conversations. They are convinced that these new tools will bring deeper insights into the chemistry of life.
To the publication in PRL: State-Dependent Electron Delocalization Dynamics at the Solute-Solvent Interface: Soft-X-Ray Absorption Spectroscopy and Ab Initio Calculations
DOI:10.1103/PhysRevLett.111.083002
More about the "Dark Channel Mechanism" in the press release 2010
- Peat as a sustainable precursor for fuel cell catalyst materialsIron-nitrogen-carbon catalysts have the potential to replace the more expensive platinum catalysts currently used in fuel cells. This is shown by a study conducted by researchers from the Helmholtz-Zentrum Berlin (HZB), Physikalisch-Technische Bundesanstalt (PTB) and universities in Tartu and Tallinn, Estonia. At BESSY II, the team observed the formation of complex microstructures within various samples. They then analysed which structural parameters were particularly important for fostering the preferred electrochemical reactions. The raw material for such catalysts is well decomposed peat.
- Helmholtz Investigator Group on magnonsDr Hebatalla Elnaggar is setting up a new Helmholtz Investigator Group at HZB. At BESSY II, the materials scientist will investigate so-called magnons in magnetic perovskite thin films. The aim is to lay the foundations for future terahertz magnon technology: magnonic devices operating in the terahertz range could process data using a fraction of the energy required by the most advanced semiconductor devices, and at speeds up to a thousand times faster.
- The future of corals – what X-rays can tell usThis summer, it was all over the media. Driven by the climate crisis, the oceans have now also passed a critical point, the absorption of CO2 is making the oceans increasingly acidic. The shells of certain sea snails are already showing the first signs of damage. But also the skeleton structures of coral reefs are deteriorating in more acidic conditions. This is especially concerning given that corals are already suffering from marine heatwaves and pollution, which are leading to bleaching and finally to the death of entire reefs worldwide. But how exactly does ocean acidification affect reef structures?
Prof. Dr. Tali Mass, a marine biologist from the University of Haifa, Israel, is an expert on stony corals. Together with Prof. Dr. Paul Zaslansky, X-ray imaging expert from Charité Berlin, she investigated at BESSY II the skeleton formation in baby corals, raised under different pH conditions. Antonia Rötger spoke online with the two experts about the results of their recent study and the future of coral reefs.