The facile generation of a tetramethyleneethane type radical cation and biradical utilizing a 3,4-di(alpha-styryl)furan and a photoinduced ET and back ET sequence

J Am Chem Soc. 2008 Feb 27;130(8):2466-72. doi: 10.1021/ja074000b. Epub 2008 Feb 1.

Abstract

Product analyses and nanosecond time-resolved spectroscopy on laser flash photolysis were studied for the photoinduced electron-transfer reaction of 3,4-di(alpha-styryl)furan (6a). A combination of these results, kinetic, density functional theoretical (DFT), and time-dependent DFT analyses enabled assignment of the absorption to the tetramethyleneethane (TME)-type radical cation (7a*+, lambda(max) = 392 nm) and the corresponding singlet biradical ((1)7a**, lambda(max) = 661 nm). These two intermediates were mechanistically linked to each other with a facile back electron-transfer reaction. The present studies provide a new method for the generation of aryl-substituted TME-type intermediates.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Alkenes / chemistry*
  • Alkenes / radiation effects
  • Cations / chemistry
  • Cations / radiation effects
  • Electrons*
  • Ethane / analogs & derivatives*
  • Ethane / chemistry
  • Ethane / radiation effects
  • Free Radicals / chemistry
  • Free Radicals / radiation effects
  • Furans / chemistry*
  • Furans / radiation effects
  • Lasers
  • Magnetic Resonance Spectroscopy / methods
  • Magnetic Resonance Spectroscopy / standards
  • Models, Chemical
  • Molecular Structure
  • Photochemistry
  • Photolysis
  • Quantum Theory
  • Reference Standards

Substances

  • 3,4-di(alpha-styryl)furan
  • Alkenes
  • Cations
  • Free Radicals
  • Furans
  • tetramethyleneethane
  • Ethane