Improving the Quantum Efficiency of the Lanthanide-Organic Framework [Eu 2 (MELL)(H 2 O) 6 ] by Heating: A Simple Strategy to Produce Efficient Luminescent Devices

Luminescent materials have been widely studied due to the increasing number of applications in catalysis, biosensors and electro-optical devices. In this sense, the improvement of luminescent efficiency has been sought and several strategies have been proposed. In this work, experimental and theoretical approaches were used to achieve and understand the improvement of luminescent efficiency of lanthanide organic frameworks through a heating process. In this study, [Eu2(MELL)(H2O)6] (EuMELL) was synthesized and characterized by scanning electron and fluorescence microscopies, thermogravimetric analysis, powder X-ray diffraction and photoluminescence techniques. In parallel, theoretical simulations of the material in solid phase were carried out using semiempirical approaches. The comparison between experimental and theoretical results indicated that the more accurate structure was calculated using the Sparkle/PM3 model. The temperature effects on the structure as well as the photophysical properties were evaluated by measurements in situ heating and compared to theoretical simulations using the Sparkle/PM3 geometry. The excellent agreement between the computational and experimental results in this study opens up a series of possibilities for studying other systems, particularly when structural details are not easily available. Moreover, that the controlled heating contributes to improve its the quantum efficiency by approximately 45%, suggesting that this approach can be a valuable tool for technological applications.