BAM and GID structural investigation of 1,4,8,11,15,18-hexahexyloxy-22,23,24,25-tetrachlorophthalocyanine floating layers

The article presents a comprehensive study of the supramolecular organization of floating layers of the mix-substituted phthalocyanine of A₃B-type (1,4,8,11,15,18-hexahexyloxy-22,23,24,25-tetrachlorophthalocyanine). Molecular packing modeling of the studied compound in monolayer structures on the water surface was simulated, and the parameters of the unit cell of the monolayer were calculated. On the base of these data, the supramolecular organization of the floating layers was proposed. Using Brewster microscopy (BAM) and grazing incidence X-ray diffraction (GID), it was shown that at the water/air interface the studied phthalocyanine forms a stable bilayer crystalline structure with an imperceptible number of 3D-aggregates. Interplanar spacing of the crystalline bilayer is 1.93 nm. (paper)