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dc.contributor.authorHeid, Cornelia G.
dc.contributor.authorBentham, Imogen P.
dc.contributor.authorWalpole, Victoria
dc.contributor.authorGarcía Jambrina, Pablo 
dc.contributor.authorAoíz Moleres, Francisco Javier
dc.contributor.authorBrouard, Mark
dc.date.accessioned2025-07-18T10:59:20Z
dc.date.available2025-07-18T10:59:20Z
dc.date.issued2020
dc.identifier.citationCornelia G. Heid, Imogen P. Bentham, Victoria Walpole, Pablo G. Jambrina, F. Javier Aoiz, and Mark Brouard The Journal of Physical Chemistry Letters 2021 12 (1), 310-316 DOI: 10.1021/acs.jpclett.0c02941es_ES
dc.identifier.issn1948-7185
dc.identifier.urihttp://hdl.handle.net/10366/166538
dc.description.abstract[EN] The collision geometry, that is, the relative orientation of reactants before interaction, can have a large effect on how a collision or reaction proceeds. Certain geometries may prevent access to a given product channel, while others might enhance it. In this Letter, we demonstrate how the initial orientation of NO molecules relative to approaching Ar atoms determines the branching between the spin–orbit changing and the spin–orbit conserving rotational product channels. We use a recently developed quantum treatment to calculate differential and integral branching fractions, at any arbitrary orientation, from theoretical and experimental data points. Our results show that a substantial degree of control over the final spin–orbit state of the scattering products can be achieved by tuning the initial collision geometry.es_ES
dc.format.mimetypeapplication/pdf
dc.language.isoenges_ES
dc.publisherACS Publicationses_ES
dc.subjectStereodynamicses_ES
dc.subjectReaction dynamicses_ES
dc.subjectComputational chemistryes_ES
dc.titleControlling the Spin–Orbit Branching Fraction in Molecular Collisionses_ES
dc.typeinfo:eu-repo/semantics/articlees_ES
dc.relation.publishversionhttps://pubs.acs.org/doi/abs/10.1021/acs.jpclett.0c02941es_ES
dc.identifier.doi10.1021/acs.jpclett.0c02941
dc.rights.accessRightsinfo:eu-repo/semantics/openAccesses_ES
dc.identifier.essn1948-7185
dc.journal.titleThe Journal of Physical Chemistry Letterses_ES
dc.volume.number12es_ES
dc.issue.number1es_ES
dc.page.initial310es_ES
dc.page.final316es_ES
dc.type.hasVersioninfo:eu-repo/semantics/submittedVersiones_ES


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