A slice imaging and multisurface wave packet study of the photodissociation of CH3I at 304 nm

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dc.contributor.authorRubio-Lago, Luis
dc.contributor.authorRodríguez. Javier
dc.contributor.authorGarcía-Vela, Alberto
dc.contributor.authorGonzález, María
dc.contributor.authorAmaral, Gabriel
dc.contributor.authorBañares Morcillo, Luis
dc.date.accessioned2024-01-12T11:46:16Z
dc.date.available2024-01-12T11:46:16Z
dc.date.issued2011
dc.description.abstractThe role of the conical intersection between the 1Q1 and 3Q0 excited states in the photodissociation of CH3I at 304 nm is investigated drawing a comparison between the adiabatic—through direct absorption to the 3Q1 state—and non-adiabatic—via the 1Q1 → 3Q0 conical intersection—production of I atoms in the ground 2P3/2 state. The versatility of the slice imaging technique in combination with resonance enhanced multiphoton ionization (REMPI) detection of I(2P3/2) atoms allow distinct measurements of the competing processes. The I(2P3/2) atom kinetic energy distributions (KEDs) obtained in both cases reflect inverted vibrational progressions of the ν2 umbrella mode of the CH3 co-product. The experimental results show a satisfactory agreement with multisurface wave packet calculations using a reduced dimensionality (pseudotriatomic) model carried out on the available ab initio potential energy surfaces
dc.description.departmentDepto. de Química Física
dc.description.facultyFac. de Ciencias Químicas
dc.description.refereedTRUE
dc.description.sponsorshipMinisterio de Ciencia e Innovación (España)
dc.description.statuspub
dc.identifier.citationRubio-Lago, L., et al. «A Slice Imaging and Multisurface Wave Packet Study of the Photodissociation of CH3I at 304 Nm». Physical Chemistry Chemical Physics, vol. 13, n.o 18, 2011, p. 8186. https://doi.org/10.1039/c0cp02515a.
dc.identifier.doi10.1039/c0cp02515a
dc.identifier.essn1463-9084
dc.identifier.issn1463-9076
dc.identifier.officialurlhttps://doi.org/10.1039/c0cp02515a
dc.identifier.urihttps://hdl.handle.net/20.500.14352/92763
dc.issue.number18
dc.journal.titlePhysical Chemistry Chemical Physics
dc.language.isoeng
dc.page.final8194
dc.page.initial8186
dc.publisherRoyal Society of Chemistry
dc.relation.projectIDCSD2007-00013
dc.relation.projectIDCTQ2008-02578/BQU, FIS2007-62002
dc.rightsAttribution-NoDerivatives 4.0 Internationalen
dc.rights.accessRightsrestricted access
dc.rights.urihttp://creativecommons.org/licenses/by-nd/4.0/
dc.subject.cdu546
dc.subject.ucmQuímica física (Química)
dc.subject.unesco2307 Química Física
dc.titleA slice imaging and multisurface wave packet study of the photodissociation of CH3I at 304 nm
dc.typejournal article
dc.type.hasVersionVoR
dc.volume.number13
dspace.entity.typePublication
relation.isAuthorOfPublicationb2340482-256f-41d0-ad15-29806cf6a753
relation.isAuthorOfPublication.latestForDiscoveryb2340482-256f-41d0-ad15-29806cf6a753
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