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Pentaplast (PP), often called penton [1], belongs to a rank of peomising bonding materials that are widely used for getting composites with valuable physical and chemical properties and technical characteristics. PP is characterized by its low melt viscosity, stability of shape and geometrical dimensions of products. Its obvious advantages are high strength and chemical endurance, which outreaches famous polyvinylchloride’s resistance to concentrated mineral acid up to 393 K. Only a few polar solvents dissolve it at elevated temperatures [2]. The main way for getting this thermoplastic is the 3,3-bis(chloromethyl)oxetane (BCMO) ring-opening polymerization process, which can be initiated by means of protonic acids, oxonium salts, hexafluoro-phosphates and Lewis acids in the presence of coinitiators (Fig. 1). Side reactions such as ring formation and backbiting can be reduced by lowering the reaction temperature. These reactions can be more or less ignored in the case of composites, if biand higher functional monomers are applied [3].

The quantum-chemical modelling of structure and spectral characteristics for molecular complexes in pentaplast-terlon system