Publication Type
Journal
Journal Name
Journal of Physical Chemistry Letters
Publication Date
Page Numbers
1536 to 1542
Volume
3
Issue
11
Abstract
An approach for performing real-time dynamics of electron transfer in a
prototype redox reaction that occurs in reactive collisions between neutral and ionic fullerenes is
discussed. The quantum dynamical simulations show that the electron transfer occurs within 60
fs directly preceding the collision of the fullerenes, followed by structural changes and relaxation
of electron charge. The consequences of real-time electron dynamics are fully elucidated for the
far from equilibrium processes of collisions between neutral and multiply charged fullerenes.
