Electron Transfer and Polar Reactions of Cyclizable Anion Radicals: Structural Consequences of Orbital Selection Rules and Chain‐Length Constraints

G. Narahari Sastry, A. Chandrasekhar Reddy, Sason Shaik*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

15 Scopus citations

Abstract

Transition states for electron transfer with strong bonding interactions are reported in the reactions of anion radicals 1 (n = 2,3). The heights of the activation barriers for the substitution and electron transfer pathways leading to 2 and 3, respectively, are a function of the length n of the methylene chain. This is predicted on the basis of orbital selection rules derived from valence bond configuration mixing analysis, and confirmed here by ab initio calculations. (Figure Presented.)

Original languageEnglish
Pages (from-to)1495-1497
Number of pages3
JournalAngewandte Chemie - International Edition
Volume34
Issue number13-14
DOIs
StatePublished - 31 Jul 1995

Keywords

  • ab initio calculations
  • electron transfer
  • substitution reactions
  • transition states

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