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- W2065384906 abstract "The intramolecular 13C kinetic isotope effects for the ring-opening of cyclopropylcarbinyl radical were determined over a broad temperature range. The observed isotope effects are unprecedentedly large, ranging from 1.062 at 80 °C to 1.163 at −100 °C. Semiclassical calculations employing canonical variational transition-state theory drastically underpredict the observed isotope effects, but the predicted isotope effects including tunneling by a small-curvature tunneling model match well with experiment. These results and a curvature in the Arrhenius plot of the isotope effects support the recently predicted importance of heavy-atom tunneling in cyclopropylcarbinyl ring-opening." @default.
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- W2065384906 date "2010-08-19" @default.
- W2065384906 modified "2023-10-18" @default.
- W2065384906 title "Experimental Evidence for Heavy-Atom Tunneling in the Ring-Opening of Cyclopropylcarbinyl Radical from Intramolecular <sup>12</sup>C/<sup>13</sup>C Kinetic Isotope Effects" @default.
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- W2065384906 doi "https://doi.org/10.1021/ja1055593" @default.
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