A novel conical intersection topography and its consequences: The 1, 2 {sup 2}A conical intersection seam of the vinoxy radical
- Department of Chemistry, Johns Hopkins University, Baltimore, Maryland 21218 (United States)
A region of the 1, 2 {sup 2}A seam of accidental conical intersections in the vinoxy radical exhibits a novel topography which has important consequences for both upper-state to lower-state and lower-state to upper-state nonadiabatic transitions. The impact of this topography on these nonadiabatic transitions is described. We also considered the possibility that this conical intersection seam provides a dynamical bottleneck to the photodissociation of vinoxy to H+ketene by facilitating nonadiabatic recrossing. Our analysis of the conical topographies and the proximity of the conical intersections to the transition state for dissociation to H+ketene does not support nonadiabatic recrossing as an effective dynamical bottleneck blocking the H+ketene channel.
- OSTI ID:
- 20723035
- Journal Information:
- Journal of Chemical Physics, Vol. 123, Issue 8; Other Information: DOI: 10.1063/1.2006094; (c) 2005 American Institute of Physics; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
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