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Details van artikel 26 van 64 gevonden artikelen
| Titel: |
Intersecting conical intersection seams in tetra-atomic molecules: the S1-S0 internal conversion in HNCO |
| Auteur: |
YARKONY, DAVID R. |
| Verschenen in: |
Molecular physics |
| Paginering: | Jaargang 99 (2001) nr. 17 pagina's 1463-1467 |
| Jaar: |
2001-09-10 |
| Inhoud: |
Symmetry-allowed intersections of two states of different symmetry, different-symmetry intersections, are the class of conical intersection most commonly studied in small molecules. A same-symmetry seam of conical interaction, originating from the same two states, may intersect this different-symmetry seam. These intersections of intersections are themselves continuously connected, forming a multidimensional subspace in the symmetry-allowed seam. A confluence of seams requires changes in the conical topography which can affect nuclear dynamics significantly. The indirect photodissociation of HNCO to H + NCO results from an internal conversion attributable to the portion of the S0-S1 seam with HNCO in a trans configuration. A previously introduced perturbative analysis is used to show that a manifold of confluences of conical intersections exists in this region. These confluences can influence the internal conversion dynamics and should be incorporated into a detailed description of this process. This represents the first time a dynamically relevant manifold of confluences has been demonstrated in a tetra-atomic molecule. |
| Uitgever: |
Taylor & Francis |
| Bronbestand: |
Elektronische Wetenschappelijke Tijdschriften |
Details van artikel 26 van 64 gevonden artikelen
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