A computational study (DFT, MP2, and GIAO-DFT) of substituent effects on protonation regioselectivity in β,β-disubstituted vinyldiazonium cations: Formation of highly delocalized carbenium/diazonium dications

Gabriela L. Borosky, Kenneth K. Laali

Research output: Contribution to journalArticlepeer-review

Original languageEnglish
Pages (from-to)115-125
Number of pages11
JournalJournal of Physical Organic Chemistry
Volume23
Issue number2
DOIs
StatePublished - Feb 2010

ASJC Scopus Subject Areas

  • Physical and Theoretical Chemistry
  • Organic Chemistry

Keywords

  • DFT and GIAO-DFT
  • Delocalized carbenium/diazonium dications
  • Protonation
  • Substituent effects
  • Trapping of mesomeric diazonium ylid
  • Vinyldiazonium cation

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