Time Resolved Spectroscopy of 21st Century Materials

该项目是一个物理化学项目，将涉及先进的计算和光谱技术的发展，用于研究21世纪的新型材料。我们将专注于使用最先进的、时间分辨的、瞬态吸收和发射光谱来询问一系列具有潜在工业相关性的有机和无机化合物。首先，我们将研究一系列喹啉基铱配合物的光物理性质，这些配合物是非常有用的可调荧光粉。我们将使用实验和计算化学技术来帮助理解这些配合物的电子特性，例如检查相对于配体设计和结合基序的吸收和发射带的位置和强度，以及自旋轨道耦合矩阵元素的大小如何改变发射特性。然后，我们寻求利用这些结构-活性信息来为无机配合物的合理设计提供信息，以获得高三重态-三重态湮灭上转换效率，以及我们如何最大化上转换过程中涉及的电子能量转移。

This project is a physical chemistry project that will involve the development of advanced computational and spectroscopic techniques for the investigation of novel 21st century materials. We will focus on the use of state-of-the-art, time resolved, transient absorption and emission spectroscopy to interrogate a range of compounds both organic and inorganic compounds of potential industrial relevance. In the first instance, we will investigate the photophysical properties of a range of quinoxalene based iridium complexes, which are remarkably useful as tunable phosphors. We will use both experimental and computational chemistry techniques to assist in the understanding of the electronic character of these complexes, for example examining the position and intensity of absorption and emission bands relative to the ligand design and binding motifs, and how the magnitude of the spin orbit coupling matrix elements alter the emissive properties. We then seek to use this structure-activity information to inform upon the rational design of inorganic complexes synthesized for their high triplet-triplet annihilation upconversion efficiencies, and how we might maximise the electron energy transfers involved in the upconversion process.