BESSY II: Influence of protons on water molecules
The spectral fingerprints of water molecules could be studied at BESSY II. The result: the electronic structure of the three innermost water molecules in an H7O3+ complex is drastically changed by the proton. In addition, the first hydrate shell of five other water molecules around this inner complex also changes, which the proton perceives via its long-range electric field. © MBI
How hydrogen ions or protons interact with their aqueous environment has great practical relevance, whether in fuel cell technology or in the life sciences. Now, a large international consortium at the X-ray source BESSY II has investigated this question experimentally in detail and discovered new phenomena. For example, the presence of a proton changes the electronic structure of the three innermost water molecules, but also has an effect via a long-range field on a hydrate shell of five other water molecules.
Excess protons in water are complex quantum objects with strong interactions with the dynamic hydrogen bond network of the liquid. These interactions are surprisingly difficult to study. Yet so-called proton hydration plays a central role in energy transport in hydrogen fuel cells and in signal transduction in transmembrane proteins. While the geometries and stoichiometries have been extensively studied both in experiments and in theory, the electronic structure of these specific hydrated proton complexes remains a mystery.
A large collaboration of groups from the Max Born Institute, the University of Hamburg, Stockholm University, Ben Gurion University and Uppsala University has now gained new insights into the electronic structure of hydrated proton complexes in solution.
Using the novel flatjet technology, they performed X-ray spectroscopic measurements at BESSY II and combined them with infrared spectral analysis and calculations. This allowed them to distinguish between two main effects: Local orbital interactions determine the covalent bond between the proton and neighbouring water molecules, while orbital energy shifts measure the strength of the proton's extended electric field.
The results suggest a general hierarchy for proton hydration: the proton interacts with three water molecules and forms an H7O3+ complex. The hydrate shell of this complex is influenced by the electric field of the positive charge of the proton.
The new research findings have direct implications for understanding proton hydration from protons in aqueous solution to proton complexes in fuel cells to water structure hydration pockets of proton channels in transmembrane proteins.
Full text of the MBI-Press release >
- A new way to control the magnetic properties of rare earth elementsThe special properties of rare earth magnetic materials are due to the electrons in the 4f shell. Until now, the magnetic properties of 4f electrons were considered almost impossible to control. Now, a team from HZB, Freie Universität Berlin and other institutions has shown for the first time that laser pulses can influence 4f electrons- and thus change their magnetic properties. The discovery, which was made through experiments at EuXFEL and FLASH, opens up a new way to data storage with rare earth elements.
- BESSY II shows how solid-state batteries degradeSolid-state batteries have several advantages: they can store more energy and are safer than batteries with liquid electrolytes. However, they do not last as long and their capacity decreases with each charge cycle. But it doesn't have to stay that way: Researchers are already on the trail of the causes. In the journal ACS Energy Letters, a team from HZB and Justus-Liebig-Universität, Giessen, presents a new method for precisely monitoring electrochemical reactions during the operation of a solid-state battery using photoelectron spectroscopy at BESSY II. The results help to improve battery materials and design.
- HZB magazine lichtblick - the new issue is out!In his search for the perfect catalyst, HZB researcher Robert Seidel is now getting a tailwind – thanks to a ERC Consolidator Grant. In the cover story, we explain why the X-ray source BESSY II plays an important role for his research.