QUANTUM-CHEMICAL STUDY OF ELECTROPHYSICAL PROPERTIES OF FLUORENE AND PHTHALYDE-CONTAINING CO-POLYARYLENE ETHER KETONES

Quantum chemical studies of the composition and structure of molecules of nonconjugated copolymers of polyarylene ether ketones have been carried out and their electronic characteristics have been studied. Copolyarylene ether ketones containing either phthalide or fluorene functional groups were considered. The results obtained demonstrate the influence of the composition and spatial arrangement of functional groups on the energy parameters of molecules, such as the ionization potential, electron affinity, and band gap.