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

2.50
Hdl Handle:
http://hdl.handle.net/2436/620993
Title:
Comparison of experimental and theoretical electron-impact-ionization triple-differential cross sections for ethane
Authors:
Ali, Esam; Nixon, Kate ( 0000-0002-1226-1879 ) ; Murray, Andrew; Ning, Chuangang; Colgan, James; Madison, Don
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:
Comparison of experimental and theoretical electron-impact-ionization triple-differential cross sections for ethane 2015, 92 (4) Physical Review A
Publisher:
American Physical Society
Journal:
Physical Review A
Issue Date:
30-Oct-2015
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:
Article
Language:
en
ISSN:
1050-2947; 1094-1622
Sponsors:
European commission, US National Science Foundation, National Natural Science Foundation of China, Texas Advanced Computing Center
Appears in Collections:
FSE

Full metadata record

DC FieldValue Language
dc.contributor.authorAli, Esamen
dc.contributor.authorNixon, Kateen
dc.contributor.authorMurray, Andrewen
dc.contributor.authorNing, Chuangangen
dc.contributor.authorColgan, Jamesen
dc.contributor.authorMadison, Donen
dc.date.accessioned2017-12-13T09:34:22Z-
dc.date.available2017-12-13T09:34:22Z-
dc.date.issued2015-10-30-
dc.identifier.citationComparison of experimental and theoretical electron-impact-ionization triple-differential cross sections for ethane 2015, 92 (4) Physical Review Aen
dc.identifier.issn1050-2947-
dc.identifier.issn1094-1622-
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.en
dc.description.sponsorshipEuropean commission, US National Science Foundation, National Natural Science Foundation of China, Texas Advanced Computing Centeren
dc.language.isoenen
dc.publisherAmerican Physical Societyen
dc.relation.urlhttps://link.aps.org/doi/10.1103/PhysRevA.92.042711en
dc.rightsArchived with thanks to Physical Review Aen
dc.subject(e,2e)en
dc.subjectethaneen
dc.subjectelectron-impact-ionizationen
dc.subjecttriple-differentialcross sectionen
dc.subjectmolecular three-body distorted waveen
dc.subjectorientation averaged molecular orbital approximationen
dc.titleComparison of experimental and theoretical electron-impact-ionization triple-differential cross sections for ethaneen
dc.typeArticleen
dc.identifier.journalPhysical Review Aen
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