Isolation and X-ray crystal structures of triarylphosphine radical cations

J Am Chem Soc. 2013 Mar 6;135(9):3414-7. doi: 10.1021/ja4012113. Epub 2013 Feb 21.

Abstract

Salts containing triarylphosphine radical cations 1(•+) and 2(•+) have been isolated and characterized by electron paramagnetic resonance (EPR) and UV-vis absorption spectroscopy as well as single-crystal X-ray diffraction. Radical 1(•+) exhibits a relaxed pyramidal geometry, while radical 2(•+) becomes fully planar. EPR studies and theoretical calculations showed that the introduction of bulky aryl groups leads to enhanced p character of the singly occupied molecular orbital, and the radicals become less pyramidalized or fully flattened.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Cations / chemical synthesis
  • Cations / chemistry
  • Cations / isolation & purification
  • Crystallography, X-Ray
  • Free Radicals / chemical synthesis
  • Free Radicals / chemistry
  • Free Radicals / isolation & purification
  • Models, Molecular
  • Molecular Structure
  • Phosphines / chemical synthesis
  • Phosphines / chemistry
  • Phosphines / isolation & purification*
  • Quantum Theory

Substances

  • Cations
  • Free Radicals
  • Phosphines