• Title of article

    The diatropic (sigma) ring currents of [(pi)2s+(pi)2s+(pi)2s] pericyclic transition states

  • Author/Authors

    Jenneskens، Leonardus W. نويسنده , , Havenith، Remco W. A. نويسنده , , Fowler، Patrick W. نويسنده , , Steiner، Erich نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2003
  • Pages
    -747
  • From page
    748
  • To page
    0
  • Abstract
    Ab initio current-density maps for the (4n+ 2)-electron transition states of two thermally allowed [(pi)2s+(pi)2s+(pi)2s] trimerisations, of ethyne to benzene (1), and of ethene to cyclohexane (2), show that both support (sigma) diatropic ring currents, dominated by four-electron (sigma) -(sigma) * virtual excitation of HOMO electrons.
  • Keywords
    second order Dehn function , combing , asynchronously automatic group
  • Journal title
    CHEMICAL COMMUNICATIONS - LETCHWORTH
  • Serial Year
    2003
  • Journal title
    CHEMICAL COMMUNICATIONS - LETCHWORTH
  • Record number

    69685