## Abstract Kinetic isotope effects (KIEs) have been found to be the most powerful tool available to physical organic chemists for determining the mechanism of reactions and for estimating the structure of their transition states. Various types of KIEs including primaryโleaving groupโ, nucleophileโ
Large kinetic isotope effects with unsymmetrical transition states
โ Scribed by Edwin L. Motell; Allen W. Boone; William H. Fink
- Publisher
- Elsevier Science
- Year
- 1978
- Tongue
- French
- Weight
- 649 KB
- Volume
- 34
- Category
- Article
- ISSN
- 0040-4020
No coin nor oath required. For personal study only.
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## Abstract The ringโopening reaction of the cyclopropylcarbinyl radical proceeds via heavyโatom tunneling at low temperature. We used instanton theory to calculate tunneling rates and kinetic isotope effects with onโtheโfly calculation of energies by density functional theory (B3LYP). The accuracy
The magnitude of a-secondary deuterlum klnetlc isotope effects has been used widely as a criterion of mechanism for nucleophlllc substitution reactions at saturated carbon (1,2). Although the magnitude of the isotope effect clearly