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

AuthorsRubio Lago, L. CSIC; Rodríguez, J.D.; García Vela, Alberto CSIC ORCID; González, M.G.; Amaral, G. A.; Bañares, Luis
Issue Date2011
PublisherRoyal Society of Chemistry (UK)
CitationPhysical Chemistry Chemical Physics 13: 8186- 8194 (2011)
AbstractThe role of the conical intersection between the 1Q1 and 3Q0 excited states in the photodissociation of CH 3I at 304 nm is investigated drawing a comparison between the adiabatic - through direct absorption to the 3Q1 state - and non-adiabatic - via the 1Q1 → 3Q 0 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. © 2011 the Owner Societies.
Identifiersdoi: 10.1039/c0cp02515a
issn: 1463-9076
Appears in Collections:(CFMAC-IEM) Artículos
(CFMAC-IFF) Artículos
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