Multiple reaction paths transition-state pathways

Figure 12 (from the chapter Exploring Multiple Reaction Paths to a Single Product Channel ). Two-dimensional cut through the potential surface for fragmentation of the transition state [OH CH3 ] complex as a function of the CF bond length and the FCO angle. All other coordinates are optimized at each point of this PES. Pathway 1 is the direct dissociation, while pathway 2 leads to the hydrogen-bonded [CH3OH F ] structure. The letter symbols correspond to configurations shown in Fig. 11. Reprinted from [63] with permission from the American Association for the Advancement of Science.

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