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Göttingen researchers image 3D molecular orbitals, enabling femtosecond videos

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Göttingen researchers image 3D molecular orbitals, enabling femtosecond videos

University of Göttingen researchers have imaged the three-dimensional wavefunction of a nanometer-sized organic molecule. The breakthrough combines photoelectron spectroscopy with redesigned algorithms to reconstruct molecular orbitals from minimal experimental data, enabling reliable 3D images in a lab setting. The development paves the way for femtosecond videos of electron dynamics.

Three-Dimensional Wavefunction Imaging

The wavefunction is a fundamental quantum mechanical quantity that cannot be directly observed. Researchers at the University of Göttingen used photoelectron spectroscopy to measure electron momenta, providing one half of the wavefunction without altering its state. Sophisticated computer algorithms then reconstructed the missing half, producing complete 3D images of the molecular orbital with resolution finer than the distance between carbon atoms. Previously, such 3D imaging required time-intensive measurements at large synchrotron facilities, limiting widespread application.

Path to Ultrafast Videos

The Göttingen team introduced two key innovations to overcome the synchrotron limitation. First, a redesigned computer algorithm that requires much less experimental data to produce reliable 3D images. Second, a lab-based soft-X-ray light source generating ultrashort light pulses. The combination allows imaging of dynamical wavefunctions in 3D at the atomic scale, enabling femtosecond videos of electron motion. The findings are reported in Nature Communications.

What's Next

The technique is expected to enable direct observation of chemical bonds forming and breaking on their natural timescales. However, it remains unclear how quickly the method can be adapted to study complex biological systems or industrial catalysts.

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Göttingen researchers image 3D molecular orbitals, enabling femtosecond videos