Electronic structure of some periodic polymers studied by ESCA and band structure calculation

Abstract

The valence region of the ESCA spectra of polyethylene, poly(tetrafluoroethylene), poly(ethylene oxide) and polyglycine are reported, and discussed with the aid of band structure calculations using the NDO approximations. When allowance is made for the variation of the ionization cross-section of the crystal orbitals with their atomic orbital character, theoretical spectra, in quite good agreement with experiment can be constructed.