Bismuth triple-decker phthalocyanine: synthesis and structure

Triclinic crystals of bismuth(III) triple-decker phthalocyanine, Bi2Pc3, Pc =C32H16N82-, were grown directly by the reaction of Bi2Se3 with 1,2-dicyano benzene at 220 degrees C. The Bi2Pc3 molecule is centrosymmetric with the b ismuth atoms located closer to the peripheral phthalocyaninato(2-) rings th an to the central ring. Each bismuth(III) ion is connected by four N-isoind ole atoms to the peripheral and by four N-isoindole to the central Pc ring with average distances of 2.333 and 2.747 Angstrom, respectively. This indi cates a stronger connection of Bi(III) to the peripheral saucer-shaped macr ocyclic rings than to the central rings. The neighbouring phthalocyaninato( 2-) moieties in the Bi,Pc, molecule are separated by a distance of 3.101(5) Angstrom. The central Pc ring is rotated by 36.4 degrees with respect to t he peripheral ones. Differences in Bi-N bond lengths are a result of intera ction of the bismuth ion with peripheral and central rings as well as the r epulsion forces between two bismuth ions in the same Bi2Pc3 molecule, which are separated by a distance of 3.839(2) Angstrom. The crystal packing is c haracterized by a distance of 3.56 Angstrom between Pc rings of neighbourin g Bi2Pc3 molecules. (C) 1999 Elsevier Science Ltd. All rights reserved.