Synthesis and structural investigation of iodine doped uranium diphthalocyanine-UPc2I2

Partially oxidized by iodine uranium(IV) diphthalocyanine, U(C32H16N8)(2)I- 2, (UPc2I,) was obtained by the direct reaction of pure powder uranium with 1,2-dicyanobenzene under a stream of iodine. The compound crystallizes in a space group P4/nnc of the tetragonal system with two molecules in a unit cell. The U atoms in the crystal are disordered onto two different crystall ographic positions (2a and 2b) in ratio of 1:5. The crystal is composed of partially oxidized UPc2 units, which form a pseudo monodimensional stack al ong [001]direction. The stacks are surrounded by disordered chains of iodin e, identified as I,ions by Raman spectroscopy. The EPR measurement exhibits a single signal at g = 2.0013, the spin concentration (0.15 spins per UPc2 molecule) indicates spin-spin coupling between the monooxidized Pc- ring w ithin the columns. (C) 2000 Elsevier Science S.A. All rights reserved.