Intrinsic barrier for protonation of radical anions

Esther Rozental, Shmaryahu Hoz

Research output: Contribution to journalArticlepeer-review

5 Scopus citations


Ab initio calculations on radical anions show that, counterintuitively, protonation on the radicaloid carbon is favored. In the case of radical anions derived from acrylonitrile and acrylaldehyde, protonation on the heteroatom is less favored than protonation on the radicaloid carbon. However, in nitroethylene, the preferred protonation site is on the nitro oxygen in accordance with experimental observation.

Original languageEnglish
Pages (from-to)10945-10949
Number of pages5
Issue number52
StatePublished - 26 Dec 2009


  • Intrinsic barrier
  • Marcus equation
  • Protonation
  • Radical anion


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