Fig data of Facilitating Role of Hydrogen Migration in the Fragmentation Dynamics of Acetonitrile Dication

We investigated the electron-impact double ionization and subsequent fragmentation dynamics of acetonitrile using multiparticle coincident momentum spectroscopy. Through the measurements of the kinetice energy release for the two-body Coulomb explosion processes and the potential energy calculations in the reaction coordinate, we identify several fragmentation channels that are typically not accessible via direct Coulomb explosion, necessitating prior isomerization, which dominates over the direct Coulomb explosion channel.