Modelling of Supramolecular Organization of Mix-Substituted Phthalocyanine Derivatives in Floating Layers

Abstract
In order to define the influence of molecular structure peculiarities on the supramolecular organization in floating layers on the water-air phases boundary, six new discotic mix-substituted phthalocyanine derivatives and their holmium complexes were studied by means of Langmuir technology. Molecule packing of the studied compounds in monolayer structures on the water surface was simulated. The monolayer elementary cell sizes were calculated. The dependence of supramolecular packing on the structure of phthalocyanine derivatives was analyzed. It was found out that while forming a monolayer in the process of compression all the studied complexes have a displacement of aliphatic substituents from the heterocycle plane into the air phase, which narrows the existence area of the stable monolayer.

Keywords: phthalocyanine, Langmuir-Blodgett trough, models, floating layers