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 >
- BESSY II is back in operation after maintenance shutdownOn 7 September 2026, BESSY II was set into operation after a four-week shutdown. BESSY II is scheduled to resume full user operation on 22 September.
- 3D magnetic field experiment at BESSY II takes spintronics a step further(Fe0.63Ni0.3Pd0.07)3P or FNPP is a magnetic material that exhibits complex magnetic structures even at room temperature. This makes the material of interest for spintronics, a field that could enable data processing with significantly lower energy consumption. One potential application is novel magnetic memory devices. However, generating and modifying the desired structures in a controlled manner remains a challenge to date. A new study led by HZB has now taken a step forward in this regard. They demonstrated at the worldwide unique VEKMAG-Station at BESSY II, that a tiny external B-field in the plane of the magnetic patterns is sufficient to change them.
- Confirmed figures for the first time: Investments in BESSY are worthwhile for Berlin and GermanyAn impact analysis by DIW Econ demonstrates the scientific and economic value of BESSY II. Every euro invested yields three euros for Germany and as much as ten euros for the State of Berlin. Furthermore, the study provides an economic forecast for the construction of BESSY III.
The impact analysis was presented on 3 September 2026 to Dr Henry Marx, State Secretary for Science and Research in the Berlin Senate. He supports the investment and is a strong advocate for BESSY III.