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dc.contributor.authorAli, Esam
dc.contributor.authorNixon, Kate
dc.contributor.authorMurray, Andrew
dc.contributor.authorNing, Chuangang
dc.contributor.authorColgan, James
dc.contributor.authorMadison, Don
dc.date.accessioned2017-12-13T09:34:22Z
dc.date.available2017-12-13T09:34:22Z
dc.date.issued2015-10-30
dc.identifier.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
dc.identifier.issn1050-2947
dc.identifier.doi10.1103/PhysRevA.92.042711
dc.identifier.urihttp://hdl.handle.net/2436/620993
dc.description.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.
dc.description.sponsorshipEuropean commission, US National Science Foundation, National Natural Science Foundation of China, Texas Advanced Computing Center
dc.language.isoen
dc.publisherAmerican Physical Society
dc.relation.urlhttps://link.aps.org/doi/10.1103/PhysRevA.92.042711
dc.subject(e,2e)
dc.subjectethane
dc.subjectelectron-impact-ionization
dc.subjecttriple-differentialcross section
dc.subjectmolecular three-body distorted wave
dc.subjectorientation averaged molecular orbital approximation
dc.titleComparison of experimental and theoretical electron-impact-ionization triple-differential cross sections for ethane
dc.typeJournal article
dc.identifier.journalPhysical Review A
dc.identifier.articlenumber042711
dc.source.volume92
dc.source.beginpage1
refterms.dateFOA2020-05-18T09:50:12Z
html.description.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.


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