Effects of Geminal Methyl Groups on the Tunnelling Rates in the Ring Opening of Cyclopropylcarbinyl Radical at Cryogenic Temperature

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Article on the effects of geminal methyl groups on the tunnelling rates in the ring opening of cyclopropylcarbinyl radical at cryogenic temperature.

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4 p.

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Zhang, Xue; Hrovat, David A.; Datta, Ayan & Borden, Weston T., 1943- 2011.

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Article on the effects of geminal methyl groups on the tunnelling rates in the ring opening of cyclopropylcarbinyl radical at cryogenic temperature.

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4 p.

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Zhang, X., Hrovat, D.A., Datta, A., Borden, W.T. (2011) Effects of geminal methyl groups on the tunneling rates in the ring opening of cyclopropylcarbinyl radical at cryogenic temperatures, Org. Biomol. Chem. (communication), 9, DOI: 10.1039/C0OB01238F - Reproduced by permission of The Royal Society of Chemistry.

Abstract: CVT + SCT calculations on the rate of tunnelling at 20 K in the ring opening of cyclopropylcarbinyl radical, substituted with geminal methyl groups at a ring carbon (1b), have been performed. The calculations predict that, contrary to expectations based on the effect of mass on the rate of tunnelling, the geminal methyl substituents in 1b should make the rate of ring opening to 1,1-dimethyl-3-butenyl radical (2b) 10(4) times faster than the rate of ring opening of unsubstituted cyclopropylcarbinyl radical (1a) to 3-butenyl radical (2a) and almost 10(6) times faster than the rate of ring opening of 1b to 2,2-dimethyl1-3-butenyl radical (2c). The reasons for these unexpected findings are discussed.

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  • Organic and Biomolecular Chemistry, 2011, Cambridge: Royal Society of Chemistry (Great Britain), pp.3142-3145

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  • Publication Title: Organic and Biomolecular Chemistry
  • Issue: 9
  • Page Start: 3142
  • Page End: 3145
  • Pages: 4
  • Peer Reviewed: Yes

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UNT Scholarly Works

The Scholarly Works Collection is home to materials from the University of North Texas community's research, creative, and scholarly activities and serves as UNT's Open Access Repository. It brings together articles, papers, artwork, music, research data, reports, presentations, and other scholarly and creative products representing the expertise in our university community.** Access to some items in this collection may be restricted.**

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  • 2011

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  • Jan. 31, 2012, 10:30 a.m.

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  • Feb. 26, 2014, 10:25 a.m.

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Zhang, Xue; Hrovat, David A.; Datta, Ayan & Borden, Weston T., 1943-. Effects of Geminal Methyl Groups on the Tunnelling Rates in the Ring Opening of Cyclopropylcarbinyl Radical at Cryogenic Temperature, article, 2011; [Cambridge, England]. (digital.library.unt.edu/ark:/67531/metadc71802/: accessed March 27, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT College of Arts and Sciences.