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I. Yu. Luk'yanov¹, V. V. Sotsky¹, N. V. Usol'tseva¹, N. E. Galanin², M. V. Korel'chyuk², G. P. Shaposhnikov², S. G. Yudin²

Author affiliations
¹Ivanovo State University, Nanomaterials Research Institute
153025 Ivanovo, Ermak Str., 39. 
E-mail: lukianov.ivan@gmail.com
²Ivanovo State University of Chemistry and Technology, Institute of Macroheterocycles
Sheremetievsky pr., 7, 153000 Ivanovo, Russia
³A.B. Shubnikov Institute of Crystallography of the RAS (IC RAS)
119333, Russia,Moscow, Leninskiy Prospect, 59

Abstract
Features of floating layers and Langmuir-Blodgett films formed by three asymmetrical phthalocyanine derivatives with 3,6-dioctyloxyphthalonitrilie and 3,4,5,6-tetrachloro-phthalonitrile parts were studied. Comparison of absorption spectra of these compounds in thin films and solutions in chloroform allows to argue that the compounds exhibit higher as-sociation tendency in thin films than in solutions. Computer simulation study of phthalocyanine derivatives in bulk samples over a wide temperature range, corresponding to their different phase states using the molecular dynamics method on modern graphics controllers was carried out. It is established that the results of computer simulation have a good agreement with the results of previously performed polarizing optical microscopy investigation, which makes the described method suitable for a direct design of new compounds or systems with the desired properties.

Keywords: Langmuir-Blodgett films, asymmetrical phthalocyanine derivatives, molecular dynamics