The electronic structure of poly(ether-ether-ketone) (PEEK) is investigated by combining X-ray and ultraviolet photoelectron spectroscopy data with the results of theoretical calculations. XPS core level spectra are related to the charge distribution on the chain, and shake-up satellites are analyzed in terms of electron interaction between the phenyl rings. The UPS spectra are interpreted from the theoretical densities of valence states calculated by the valence effective Hamiltonian (VEH) method. The results show that the electronic structure of PEEK is basically identical to that of a short-chain model molecule, indicating that the ground state of the polymer remains localized, with no long-range electronic interaction along the chain.
Bibliographical noteFunding Information:
We are grateful to the Swedish Board for Technical Development for supporting research on polymers in Linkiiping. We wish to thank the University of Mons for the use of the UMH-CC1 Computer Center as well as the Belgian National Fund for Scientific Research (F’NRS) and IBM-Belgium for the use of the supercomputer network at KU Lcuven, U. Liege, and FUNDP Namur. One of us (NS) is grateful to the Ministry of Education, Science and Culture of Japan, which made possible an extended visit to Lin-kijping through the Japan-Sweden International Scientific Research Program (63044 147).
ASJC Scopus subject areas
- General Physics and Astronomy
- Physical and Theoretical Chemistry