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Bifurcations on potential energy surfaces of organic reactions
Authors:Ess Daniel H  Wheeler Steven E  Iafe Robert G  Xu Lai  Celebi-Olçüm Nihan  Houk Kendall N
Institution:Department of Chemistry and Biochemistry, University of California, Los Angeles, 607 Charles E. Young Drive East, Los Angeles, CA 90095, USA.
Abstract:A single transition state may lead to multiple intermediates or products if there is a post-transition-state reaction pathway bifurcation. These bifurcations arise when there are sequential transition states with no intervening energy minimum. For such systems, the shape of the potential energy surface and dynamic effects, rather than transition-state energetics, control selectivity. This Minireview covers recent investigations of organic reactions exhibiting reaction pathway bifurcations. Such phenomena are surprisingly general and affect experimental observables such as kinetic isotope effects and product distributions.
Keywords:bifurcations  bis‐pericyclic transition states  reaction mechanisms  theoretical chemistry calculations  valley‐ridge inflection point
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