Observing orbitals solves hydrogen transfer puzzle

By Katrina Krämer2018-08-21T14:30:00

Hydrogen atom transfer (HAT) by the high-valent intermediate J of a taurine dioxygenase (TauD-J) model.

Source: © J. E. M. N. Klein, University of Groningen

Visualising atoms’ wave function lets chemists tell true from indirect hydrogen atom transfer

Watching computed orbitals – visual representations of atoms’ quantum dynamics – dance around during a reaction might help chemists distinguish between different types of hydrogen atom transfers. This might save them from having to run kinetic experiments and build complicated models based on the results.