The effect of polymer host on optical absorption spectra for Er(CF3SO3)3 in poly(ethylene oxide)

Erbium triflate, Er(CF3SO3)(3), salt has been dissolved in poly( ethylene glycol) (PEG400) and analysed at 295 K. The experimental optical absorption spectrum is compared to that calculated using a modified Judd-Ofelt approach. Comparable amorphous polymer-salt systems, Er(CF3SO3)(3) dissolved in poly( ethylene oxide) (PEO) [EO : Er ratios 100, 50, 28.6 and 25 : 1] have been simulated at 300 K using molecular dynamics (MD) and the different MD-generated rare earth environments have been used to calculate crystal-field parameters. A variety of coordination types are found for the Er 3 ions. Agreement between the calculated and experimental spectra is quite satisfactory; discrepancies can be ascribed to inappropriate free-ion parameters and the crystal-field model used.