Comparison of experimental and theoretical electron-impact-ionization triple-differential cross sections for ethane
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AbstractWe have recently examined electron-impact ionization of molecules that have one large atom at the center, surrounded by H nuclei ( H 2 O , N H 3 , C H 4 ). 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 ( C 2 H 6 ) 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.
CitationAli, E., Nixon, K., Murray, A., Ning, C. et al. (2015) Comparison of experimental and theoretical electron-impact-ionization triple-differential cross sections for ethane, Physical Review A, 92 (4) Article number 042711
PublisherAmerican Physical Society
JournalPhysical Review A
SponsorsEuropean commission, US National Science Foundation, National Natural Science Foundation of China, Texas Advanced Computing Center