LumiPhos - Luminescence of functionalized phosphane oxides in structurally fixed environment: Mechanisms, targeted synthesis and application potential

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In an increasingly digitized world the development of luminescent materials for optoelectronic applications, such as color converters and light emitting diodes in monitors, lies in the main focus of scientific research. Commonly, this is done on a trial and error basis without an explanation of structural causes of the luminescence on a molecular level. However, for an efficient and targeted implementation the latter is of utmost importance.Therefore, the goal of this project is to achieve a systematic development and optimization of luminescent dyes through a close collaboration of synthetic, theoretical and application-oriented scientific expertise. The focus lies on functionalized, structurally flexible phosphane oxides and their metal complexes, which have proven to be promising candidates for organic luminescent dyes in preliminary works. Besides featuring high stability and being easily accessible through a cheap and well scalable synthesis, the key advantage of this type of compounds lies in their nearly unlimited modifiability. This allows a precise adjustment of preferred properties through a variation of substituents at the phosphorus atom. From a synthetical point of view this also offers potential for advancement and optimization of widely applicable synthetic protocols for phosphorus-carbon bond formation. The determination of structure-luminescence relationships is essential for a targeted development of luminescent dyes. For this, theoretical investigations are needed. In addition to examining the photoluminescence mechanisms and the impact of substituent and metal center variation, new methodologies for the simulation of electroluminescence are to be developed during this project. In particular, theoretical studies will answer in which way structural fixation is needed to induce luminescence. With the gained knowledge suitable candidates for synthesis shall be suggested.For an extensive characterization, while being thoroughly examined in pure form, the obtained compounds will also be tested as emitters in optoelectronic devices. Suitable candidates will be formulated in printable inks, and customized OLED and color converter devices will be produced. Through the rational combination of materials synthesis, modeling and application, a new understanding of emission mechanisms is anticipated in this project, and possibilities for targeted design of new materials will be demonstrated.