Cycloaddition of o-benzyne to benzene and the inner phase of a hemicarcerand

Brett R. Beno, Chimin Sheu, K. N. Houk, Ralf Warmuth, D. J. Cram

Research output: Contribution to journalArticlepeer-review

32 Scopus citations


Becke3LYP/6-31G* calculations predict a small energy of concert for the Diels-Alder reaction of o-benzyne with benzene, and force-field calculations indicate that steric interactions and transannular strain are responsible for the regiospecificity of the Diels-Alder reaction between o-benzyne and its host hemicarcerand.

Original languageEnglish (US)
Pages (from-to)301-302
Number of pages2
JournalChemical Communications
Issue number3
StatePublished - Feb 7 1998
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Catalysis
  • Electronic, Optical and Magnetic Materials
  • Ceramics and Composites
  • Chemistry(all)
  • Surfaces, Coatings and Films
  • Metals and Alloys
  • Materials Chemistry


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