Substituent effects on benzyne electronic structures

William T.G. Johnson, Chris Cramer

Research output: Contribution to journalArticlepeer-review

32 Scopus citations

Abstract

The effect of inductive strength and π-conjugating tendency on the structure and energetics of singly substituted benzynes is studied for different substituents. For amino and cyano substituents, all possible isomers are examined. For silyl and ammonio substituents, meta isomers are examined.

Original languageEnglish (US)
Pages (from-to)597-603
Number of pages7
JournalJournal of Physical Organic Chemistry
Volume14
Issue number9
DOIs
StatePublished - Sep 1 2001

Keywords

  • Aryne
  • Biradical
  • Diradical
  • Modeling
  • Resonance
  • Singlet-triplet splitting

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