Polycyclic antiaromatic hydrocarbons.
Magnetically induced current densities have been calculated for a series of hydrocarbons consisting of hexadehydro[12]annulene rings alternatingly fused with benzenes. The calculations show that all molecular rings of the studied molecules sustain paramagnetic ring currents. The new class of molecules is therefore coined polycyclic antiaromatic hydrocarbons (PAAH).
Jusélius
Jonas
J
Department of Chemistry, University of Tromsø, Tromsø, N-9037, Norway. jonas.juselius@chem.uit.no
Sundholm
Dage
D
D001554:Benzene / Q000737:chemistry; D008280:Magnetics; D008956:Models, Chemical; D015394:Molecular Structure; D011084:Polycyclic Aromatic Hydrocarbons / Q000037:antagonists & inhibitors / Q000737:chemistry; D011083:Polycyclic Compounds / Q000737:chemistry* / Q000378:metabolism*
D011084:Polycyclic Aromatic Hydrocarbons; D011083:Polycyclic Compounds; D001554:Benzene