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

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    Authors
    Ali, Esam
    Nixon, Kate
    Murray, Andrew
    Ning, Chuangang
    Colgan, James
    Madison, Don
    Issue Date
    2015-10-30
    
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    Abstract
    We 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.
    Citation
    Ali, 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
    Publisher
    American Physical Society
    Journal
    Physical Review A
    URI
    http://hdl.handle.net/2436/620993
    DOI
    10.1103/PhysRevA.92.042711
    Additional Links
    https://link.aps.org/doi/10.1103/PhysRevA.92.042711
    Type
    Journal article
    Language
    en
    ISSN
    1050-2947
    Sponsors
    European commission, US National Science Foundation, National Natural Science Foundation of China, Texas Advanced Computing Center
    ae974a485f413a2113503eed53cd6c53
    10.1103/PhysRevA.92.042711
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    Faculty of Science and Engineering

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