Abstract
The asymmetric unit of the title compound, 2[Zn(C32H16N8)(C7H9N)]·3C7H9N, comprises two independent complex mol-ecules and three benzyl-amine solvent mol-ecules. Each complex mol-ecule features a penta-coordinated Zn(2+) ion within a square-pyramidal geometry, whereby the N5 donor set is defined by four atoms of the phthalocyaninate dianion (PC) and an N-bound benzyl-amine mol-ecule; it is the relative orientations of the latter that differentiate between the independent complex mol-ecules. The uncoordinated benzyl-amine mol-ecules display different conformations in the structure, with syn-Car-Car-Cm-N (ar = aromatic, m = methyl-ene) torsion angles spanning the range -28.7 (10) to 35.1 (14)°. In the crystal, N-H⋯N and N-H⋯π inter-actions lead to supra-molecular layers in the ab plane. The layers have a zigzag topology, have the coordinating and non-coordinating benzyl-amine mol-ecules directed to the inside, and present the essentially flat PC resides to the outside. This arrangement enables adjacent layers to associate via π-π inter-actions [inter-centroid distance between pyrrolyl and fused-benzene rings = 3.593 (2) Å] so that a three-dimensional architecture is formed.
Highlights
The asymmetric unit of the title compound, 2[Zn(C32H16N8)(C7H9N)]Á3C7H9N, comprises two independent complex molecules and three benzylamine solvent molecules
Each complex molecule features a pentacoordinated Zn2+ ion within a square-pyramidal geometry, whereby the N5 donor set is defined by four atoms of the phthalocyaninate dianion (PC) and an N-bound benzylamine molecule; it is the relative orientations of the latter that differentiate between the independent complex molecules
The layers have a zigzag topology, have the coordinating and non-coordinating benzylamine molecules directed to the inside, and present the essentially flat PC resides to the outside
Summary
Phthalocyanines of most main group metals and semi-metals, transition metals, lanthanides and actinides are known. The intense blue colour of this thermally stable material was subsequently exploited in paints and textile dyes Another defining characteristic is the insolubility of FePC in water, common organic solvents, dilute acids and alkali. Zinc phthalocyanine (ZnPC) is one of the more soluble members of the transition metal phthalocyanines, a saturated solution in NMP (N-methyl-2-pyrrolidone) is still less than 7 mM (Ghani et al, 2012). We have an on-going interested in doped TiO2 for use as DSSC photoanodes (Ako et al, 2015) and investigated the use of solutions of ZnPC in benzylamine for coating TiO2 nanoparticles This high-boiling primary amine proved to be a reasonable solvent for this dye. A discussion of the conformational variability of uncoordinated benzylamine is included
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