Collision dynamics of proton to formic acid at 5 eV: The formation and evolution of protonated HCOOH

To investigate the collision processes of proton with formic acid at 5 eV, time-dependent density functional theory coupled with molecular dynamics is used. Eight specific collision configurations with various impact parameters are taken into account, which results in scattering, replacement, and protonation. The protonation happens when the incoming proton is parallel to the molecular plane. The 1,3-intramolecular H transfer is found in the formation of protonated formic acid. During the evolution, the protonated formic acid tends to be the carbonyl protonated formic acid.