Fuzzy molecules

Ultrashort, high-intensity X-ray laser pulses trigger controlled explosions of molecules – making it possible to capture high-resolution images of molecular structures. (Credit: Till Jahnke / Goethe University Frankfurt)

New imaging reveals that even at absolute zero, molecules still jitter and shift thanks to quantum physics.

In A Nutshell

  • Scientists have directly observed quantum jitters, or tiny shape-shifting motions, in a complex molecule for the first time.
  • Using intense x-ray bursts, researchers caused molecules to explode and tracked the resulting fragments to reconstruct how atoms were moving just before the blast.
  • The findings confirm a long-predicted quantum effect: even at absolute zero, molecules aren’t frozen but subtly vibrate due to the uncertainty principle.
  • This breakthrough could help scientists better understand how molecules behave in chemical reactions, possibly improving drug design in the future.

FRANKFURT — We often think of molecules as tiny, fixed structures like little Lego models, locked in place. But new research shows that even when frozen to their coldest state, molecules are anything but motionless. They’re always subtly quivering and shifting, or what scientists call being “fuzzy.”

In a new study published in Science, researchers used one of the world’s most powerful X-ray lasers to catch a molecule mid-jiggle for the first time. The discovery shows that the basic building blocks of matter are more dynamic than we’ve ever seen, and that even when molecules look stable, they’re always moving beneath the surface.

This strange behavior comes from one of the rules of quantum physics: the Heisenberg uncertainty principle. The rule essentially says that you can’t know exactly where something is and how fast it’s moving at the same time. In other words, atoms in a molecule can never be completely still, even at absolute zero, the coldest temperature possible. These movements are known as ground-state structural fluctuations, and until now, no one had ever captured them in action in a complex molecule.

As the team of 46 co-authors explain in their paper: “Because of the Heisenberg uncertainty principle, the structure of a molecule fluctuates about its mean geometry, even in the ground state.”

How Scientists Used X-Rays to Reveal Molecules in Motion

To observe this atomic wiggle, the international research team studied a molecule called 2-iodopyridine, which has a flat, ring-shaped structure made up of 11 atoms.

Since molecules are much smaller than the wavelength of visible light, they can’t be photographed the usual way. So scientists used a powerful X-ray laser to break the molecules apart and then tracked the pieces. This method, known as Coulomb explosion imaging, works like this: the X-ray pulse strips electrons from the molecule, making the atoms positively charged. The atoms then repel each other and fly apart, similar to magnets being pushed together.

By measuring where and how fast each fragment moved, scientists could reconstruct what the molecule looked like just before it exploded. It’s kind of like watching the debris of a firework to figure out what shape it had when it launched.

Ultrashort, high-intensity X-ray laser pulses trigger controlled explosions of molecules – making it possible to capture high-resolution images of molecular structures.
Ultrashort, high-intensity X-ray laser pulses trigger controlled explosions of molecules – making it possible to capture high-resolution images of molecular structures. (Credit: Till Jahnke / Goethe University Frankfurt)

First Direct Evidence of Molecules Moving at Absolute Zero

The results were surprising. Even though the molecule starts off flat, many atoms were seen flying out of that flat plane. That only makes sense if they were already moving out of the plane before the explosion began.

More importantly, the atoms weren’t flying off randomly. Instead they moved in coordinated ways, like dancers in a routine.

To prove these motions were due to quantum effects, the team ran computer simulations. When they left out the quantum “jitter,” the atoms didn’t move the same way. When the quantum effects were included, the results matched what they saw in the lab. This confirmed they were really observing the quantum fluctuations that had only been predicted, until now.

How Researchers Overcame Barriers to Studying Complex Molecules

Before this experiment, scientists could only study this kind of motion in very small molecules. Larger molecules create more fragments when they explode, and it’s hard to catch all the pieces. In this case, the detectors only captured about 60% of the fragments from each molecule.

But instead of giving up, the team used clever math to fill in the blanks. According to the paper, “our analysis scheme allows extracting these variations, despite our measurements covering only a fraction of the full 33-dimensional momentum space.” That means they were able to reconstruct the molecule’s motion, even from partial data, by looking at patterns and relationships between the fragments they did capture.

This opened the door to studying much more complex molecules in the future.

“We’re constantly improving our method and are already planning the next experiments,” says study co-author Till Jahnke, a professor from the Institute for Nuclear Physics at Goethe University Frankfurt and the Max Planck Institute for Nuclear Physics in Heidelberg, in a statement. “Our goal is to go beyond the dance of atoms and observe in addition the dance of electrons – a choreography that is significantly faster and also influenced by atomic motion. With our apparatus, we can gradually create real short films of molecular processes – something that was once unimaginable.”

Why Quantum Molecule Motion Could Change Chemistry and Biology

This breakthrough could help scientists better understand how molecules behave, not just in theory, but in action. These tiny wiggles can affect how molecules interact with each other, how fast chemical reactions happen, and how well a drug fits its target in the body.

While the paper stops short of predicting immediate medical applications, it does say the technique “opens up new avenues to explore chemical dynamics” and could lead to “incomparably more detailed insight into the time evolution of molecular systems.”

In short, the research shows that molecules aren’t frozen, fixed shapes. They’re always shifting even in their most stable states. That fuzziness isn’t a flaw in our measurements; rather, it’s a core part of how matter behaves. And now, for the first time, we can actually see it.


Paper Summary

Methodology

Researchers studied 2-iodopyridine molecules using intense x-ray pulses from the European X-ray Free-Electron Laser. They employed Coulomb explosion imaging, where x-rays strip electrons from atoms so rapidly that the positively charged fragments repel each other and fly apart. A COLTRIMS reaction microscope tracked the three-dimensional momenta of these fragments. Advanced mathematical techniques reconstructed the complete molecular dynamics from incomplete detection data, overcoming the challenge that detectors only catch about 60% of fragments from complex molecules.

Results

The study revealed correlated out-of-plane momentum fluctuations in the molecular fragments, providing direct evidence of collective quantum structural fluctuations in the original molecule. These movements matched specific vibrational modes predicted by quantum mechanics. Computer simulations confirmed that when quantum effects were excluded, the observed out-of-plane movements largely disappeared, proving their quantum mechanical origin.

Limitations

The technique works best for out-of-plane molecular movements, as in-plane variations are more affected by the ionization process itself. The method requires very high x-ray intensities and sophisticated detection equipment available only at advanced facilities. Complete molecular reconstruction becomes increasingly challenging for larger molecules due to detector efficiency limitations.

Funding & Disclosures

The research was supported by multiple organizations including DESY Germany, the Deutsche Forschungsgemeinschaft, the US Department of Energy, and various European institutions. The authors declared no competing interests. Data are available through the European XFEL database and University of Hamburg repository.

Publication Details

The study was published in Science on August 7, 2025, titled “Imaging collective quantum fluctuations of the structure of a complex molecule.” The research was conducted by an international collaboration led by teams at the Center for Free-Electron Laser Science and European XFEL, with the manuscript submitted in November 2024 and accepted in June 2025.

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