Experimental Evidence for Heavy-Atom Tunneling in the Ring-Opening of Cyclopropylcarbinyl Radical from Intramolecular 12C/13C Kinetic Isotope Effects

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Article on experimental evidence for heavy-atom tunneling in the ring-opening of cyclopropylcarbinyl radical from intramolecular 12C/13C kinetic isotope effects.

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2 p.

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Gonzalez-James, Ollie M.; Zhang, Xue; Datta, Ayan; Hrovat, David A.; Singleton, Daniel A. & Borden, Weston T. August 19, 2010.

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Article on experimental evidence for heavy-atom tunneling in the ring-opening of cyclopropylcarbinyl radical from intramolecular 12C/13C kinetic isotope effects.

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2 p.

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Reprinted with permission from the Journal of the American Chemical Society. Copyright 2010 American Chemical Society.

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.

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  • Journal of the American Chemical Society, 2010, Washington D.C.: American Chemical Society, pp. 2548-12549

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  • Publication Title: Journal of the American Chemical Society
  • Volume: 132
  • Page Start: 12548
  • Page End: 12549
  • Pages: 2
  • Peer Reviewed: Yes

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  • August 19, 2010

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  • Jan. 31, 2012, 10:30 a.m.

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  • Aug. 30, 2017, 3:10 p.m.

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Gonzalez-James, Ollie M.; Zhang, Xue; Datta, Ayan; Hrovat, David A.; Singleton, Daniel A. & Borden, Weston T. Experimental Evidence for Heavy-Atom Tunneling in the Ring-Opening of Cyclopropylcarbinyl Radical from Intramolecular 12C/13C Kinetic Isotope Effects, article, August 19, 2010; [Washington, D.C.]. (digital.library.unt.edu/ark:/67531/metadc71805/: accessed July 18, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT College of Arts and Sciences.