• Title of article

    The origin of counter-rotating rim and hub currents in coronene

  • Author/Authors

    Aihara، نويسنده , , Jun-ichi، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2004
  • Pages
    5
  • From page
    7
  • To page
    11
  • Abstract
    A current density pattern of a polycyclic π-system can be obtained as a superposition of all circuit currents, i.e., currents induced formally in all possible cyclic paths in the π system. Most circuits in coronene are diatropic (4n+2)-membered ones. In fact, all (4n+2)- and 4n-membered circuits are diatropic and paratropic, respectively. This is why this hydrocarbon sustains counter-rotating rim (diatropic) and hub (paratropic) currents when it is placed in a magnetic field. Thus, rim and hub currents in coronene are indivisible parts of many circuit currents. In contrast, the coronene tetracation/tetraanion sustains conrotatory diatropic rim and hub currents.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2004
  • Journal title
    Chemical Physics Letters
  • Record number

    1912224