Sparkle model and photophysical studies of Europium BiqO2-cryptate

The structure and emission spectrum of the europium biisoquinoline [Eu(biqO2)] are investigated in the frame-work of the Sparkle/AM1 and Judd-Ofelt theory. The simulated structure is compared to the X-ray measurements found in the literature. It can be noted that there is a satisfactory similarity between them. The good predictions of the intensity parameters and the theoretical quantum yields calculated to Sparkle/AM1 and X-ray structures indicate that the Sparkle/AM1 model can be successfully used for simulating the local environment of Eu3+, even involving large molecules such as cryptates.