Low energy experimental and theoretical triple differential cross sections for the highest occupied molecular orbital of methane (1t2) and for the 2p atomic orbital of neon are presented and compared. These targets are iso-electronic, each containing 10 electrons and the chosen orbital within each target has p-electron character. Observation of the differences and similarities of the cross sections for these two species hence gives insight into the different scattering mechanisms occurring for atomic and molecular targets. The experiments used perpendicular, symmetric kinematics with outgoing electron energies between 1.5 eV and 30 eV for CH4 and 2.5 eV and 25 eV for neon. The experimental data from these targets are compared with theoretical predictions using a distorted-wave Born approximation. Reasonably good agreement is seen between the experiment and theory for neon while mixed results are observed for CH4. This is most likely due to approximations of the target orientation made within the model.
K. L. Nixon et al., "Low Energy (e,2e) Measurements of Ch⁴ and Neon in the Perpendicular Plane," Journal of Chemical Physics, vol. 136, no. 9, pp. 094302-1-094302-8, American Institute of Physics (AIP), Mar 2012.
The definitive version is available at https://doi.org/10.1063/1.3690461
Keywords and Phrases
Atomic orbital; Cross section; Distorted wave Born approximation; Electron energies; Experimental data; Highest occupied molecular orbital; Low energies; Molecular targets; Perpendicular-plane; Scattering mechanisms; Symmetric kinematics; Target orientation; Theoretical prediction; Triple differential cross sections; Atomic physics; Experiments; Methane; Quantum chemistry; Neon
International Standard Serial Number (ISSN)
Article - Journal
© 2012 American Institute of Physics (AIP), All rights reserved.
01 Mar 2012