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• W2046871871 abstract "The highly debated three-body dissociation of sym-triazine to three HCN products has been investigated by translational spectroscopy and high-level ab initio calculations. Dissociation was induced by charge exchange between the sym-triazine radical cation and cesium. Calculated state energies and electronic couplings suggest that sym-triazine is produced in the 3s Rydberg and pi* <-- n manifolds. Analysis of the topology of these manifolds along with momentum correlation in the dissociation products suggest that the 3s Rydberg manifold characterized by a conical intersection of two potential energy surfaces leads to stepwise dissociation, while the pi* <-- n manifold consisting of a four-fold glancing intersection leads to a symmetric concerted reaction." @default.
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• W2046871871 date "2008-10-30" @default.
• W2046871871 modified "2023-09-27" @default.
• W2046871871 title "Conical for Stepwise, Glancing for Concerted: The Role of the Excited-State Topology in the Three-Body Dissociation of <i>sym</i>-Triazine" @default.
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• W2046871871 doi "https://doi.org/10.1021/jp806369s" @default.
• W2046871871 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/18959397" @default.
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