Probing Halogen−π versus CH−π Interactions in Molecular Balance

Jie Jian, Jordi Poater, Paul B. White, Christine J. McKenzie, F. Matthias Bickelhaupt*, Jasmin Mecinović*

*Corresponding author for this work

Research output: Contribution to journalJournal articleResearchpeer-review

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Molecular balances based on the dibenzobicyclo[3.2.2]nonane template enable probing of the competition between halogen−π and CH−π interactions. Structural, NMR spectroscopic, and computational analyses revealed that the π system can favorably interact both with C–X or C–H functionalities, depending on the size of the functional group.
Original languageEnglish
JournalOrganic Letters
Issue number20
Pages (from-to)7870-7873
Publication statusPublished - 2020


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