engleski

Kinetics of formation of polybenzene azodioxide

Formation of azodioxide bonds in polymerization of 1, 4-dinitrosobenzene was examined experimentally and computationally. While monomers prepared by UV dissociation produced exclusively E-isomers, Z-isomers were formed by polymerization of monomers deposited on CsI window. DFT method was used for shorter oligomeres, while Fragment Molecular Orbitals method was used for longer ones and showed good correlation with DFT.

nitroso; solid-state; polymerization; fragment molecular orbitals

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