Synchronous or Asynchronous? An “Experimental” Transition State from a Direct Comparison of Experimental and Theoretical Kinetic Isotope Effects for a Diels−Alder Reaction
Author:
Affiliation:
1. Department of Chemistry and Biochemistry University of California Los Angeles, California 90095-1569 Department of Chemistry, Texas A & M University College Station, Texas 77843
Publisher
American Chemical Society (ACS)
Subject
Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis
Link
https://pubs.acs.org/doi/pdf/10.1021/ja9615278
Reference53 articles.
1. Pericyclic Reaction Transition States: Passions and Punctilios, 1935-1995
2. Diels-Alder dimerization of 1,3-butadiene: an ab initio CASSCF study of the concerted and stepwise mechanisms and butadiene-ethylene revisited
3. Electronic factors influencing the activation barrier of the Diels-Alder reaction. An ab initio study
4. MC-SCF study of the Diels-Alder reaction between ethylene and butadiene
5. Density Functional Theory Prediction of the Relative Energies and Isotope Effects for the Concerted and Stepwise Mechanisms of the Diels−Alder Reaction of Butadiene and Ethylene
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