We report an experimental and theoretical investigation into the dynamics of electron-impact ionization of R-carvone. Experimental triple differential cross sections are obtained in asymmetric coplanar kinematic conditions for the ionization of the unresolved combination of the three outermost molecular orbitals (41a-39a) of R-carvone. These cross sections are compared with theoretical cross sections calculated within a molecular 3-body distorted wave (M3DW) framework employing either a proper orientation average or orbital average to account for the random orientation of the molecule probed in the experiment. Here, we observe that the overall scattering behavior observed in the experiment is fairly well reproduced within the M3DW framework when implementing the proper average over orientations. The character of the ionized orbitals also provides some qualitative explanation for the observed scattering behavior. This represents substantial progress when trying to describe the scattering dynamics observed for larger molecules under intermediate-impact energy and asymmetric energy sharing scattering conditions.
D. B. Jones et al., "A Dynamical (e,2e) Investigation into the Ionization of the Outermost Orbitals of R-Carvone," Journal of Chemical Physics, vol. 151, no. 12, American Institute of Physics (AIP), Sep 2019.
The definitive version is available at https://doi.org/10.1063/1.5123526
Center for High Performance Computing Research
Keywords and Phrases
Atomic physics; Electron-electron interactions; Molecular orbitals; Molecular orientation; Molecules; Monoterpenes, Asymmetric energy; Coplanar kinematics; Distorted waves; Electron impact-ionization; Random orientations; Scattering conditions; Theoretical investigations; Triple differential cross sections, Impact ionization
International Standard Serial Number (ISSN)
Article - Journal
© 2019 The Authors, All rights reserved.
01 Sep 2019