Theoretical Characterization of Cycloaddition Reactions of the Cyclopropylcarbinyl Cation

Chris Cramer, Susan E. Barrows

Research output: Contribution to journalArticlepeer-review

8 Scopus citations

Abstract

The gas-phase cycloaddition reactions of ethylene and 1,3-butadiene with the cyclopropylcarbinyl cation to produce the cyclohexyl and cycloocten-5-yl cation, respectively, have been computationally characterized. At levels of theory up to MP2/cc-pVDZ the reactions are quite asynchronous but are concerted (i.e., there is only one transition state prior to formation of the product carbocycles).

Original languageEnglish (US)
Pages (from-to)7591-7593
Number of pages3
JournalJournal of Organic Chemistry
Volume59
Issue number25
DOIs
StatePublished - Dec 1 1994

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