Comparison of experimental and theoretical electron-impact-ionization triple-differential cross sections for ethane

Ali, Esam; Nixon, Kate; Murray, Andrew; Ning, Chuangang; Colgan, James and Madison, Don (2015). Comparison of experimental and theoretical electron-impact-ionization triple-differential cross sections for ethane. Physical Review A, 92(4), article no. 042711.

DOI: https://doi.org/10.1103/PhysRevA.92.042711

Abstract

We have recently examined electron-impact ionization of molecules that have one large atom at the center, surrounded by H nuclei (H₂O, NH₃, CH₄). All of these molecules have ten electrons; however, they vary in their molecular symmetry. We found that the triple-differential cross sections (TDCSs) for the highest occupied molecular orbitals (HOMOs) were similar, as was the character of the HOMO orbitals which had a p-type “peanut” shape. In this work, we examine ethane (C₂H₆) which is a molecule that has two large atoms surrounded by H nuclei, so that its HOMO has a double-peanut shape. The experiment was performed using a coplanar symmetric geometry (equal final-state energies and angles). We find the TDCS for ethane is similar to the single-center molecules at higher energies, and is similar to a diatomic molecule at lower energies.

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