Scientists capture coordinated proton and electron motion in real time

A team led by Pacific Northwest National Laboratory with SLAC and university researchers has for the first time captured the coordinated motion of protons and electrons in a light-driven proton-coupled electron transfer (PCET) reaction. Ultrafast X-ray spectroscopy and scattering at LCLS, combined with quantum chemistry simulations, revealed how a molecule's electronic structure changes as it gains a proton while surrounding water reorganizes. The findings, published in Nature Communications, could aid design of catalysts, fuel cells and flow batteries.

• First single experiment to combine X-ray spectroscopy and scattering with quantum simulations
• Shows how a molecule's electronic structure changes as it gains a proton
• Tracks simultaneous reorganization of the surrounding water network
• Findings could improve catalysts, fuel cells and flow batteries