Authors: Jones, D. B.; Ali, E.; Chakraborty, H. S.; Ning, C. G.; Garcia, G.; Madison, D. H.; Brunger, M. J.

Journal: CHEMICAL PHYSICS LETTERS

Publication date: 2021/10/16

DOI: 10.1016/j.cplett.2021.139000

Abstract: We report an experimental and theoretical investigation into the dynamics of electron-impact ionization of the unresolved outermost molecular orbitals (6ag + 1b1g) of pyrazine (C4N2H4). Experimental triple differential cross sections (TDCS) are compared with cross sections calculated within a molecular 3-body distorted wave (M3DW) framework. The M3DW theory was able to reproduce the qualitative scattering behaviour in the binary region, but failed to describe the absolute intensity of the TDCS and the recoil scattering behaviour. Momentum profiles were used to identify possible sources where the M3DW may mask the quantum character of the ionized orbitals in describing the ionization dynamics.