Assembly and decomposition of building blocks to analyze polymer NEXAFS spectra

Abstract

The poly(ethylene-terephthalate) and poly(bisphenol-A-carbonate) compounds are used to illustrate the possibilities and limitations of building-block analysis of polymer near-edge X-ray absorption spectra. Experimental spectra obtained for thin polymer films are analyzed using theoretical static exchange calculations of C1s and O1s excitation spectra on model molecules selected as possible building blocks. © 1997 John Wiley & Sons, Inc. Int J Quant Chem 63: 749–765, 1997