Abstract
The quantum-chemical investigation of tentative products of radiation-chemical transformations in PTFE under the action of γ radiation at a temperature higher than the melting point of the crystalline phase has been carried out. The excited electronic states of fluorinated alkylpolyenes of the general formula F3C-(CF=CF)n-CF3(n = 1−7), the same compounds with CFO terminal groups, and the dimers of monomer fragments containing two or more conjugated double bonds have been calculated by means of the semiempirical PM3 method. In addition, the excited states for PTFE chain fragments of different lengths have been calculated. On the basis of calculations, it has been concluded that the coloration of the irradiated PTFE may be caused by formation of polyconjugated structures in the polymer chain with the number of double bonds n = 2–6.
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