Tailoring solid-state luminescence of anthracene derivatives via high-pressure crystallography

The aim of this proposal is to (1) determine the high-pressure stabilities of the crystal structures of three polymorphic forms of thiophosphoranyl anthracenes (alpha-AnPS, beta-AnPS, gamma-AnPS), (2) evaluate the pressure-induced changes in the molecular packing and intermolecular interactions, (3) determine the pressure evolution of the pi-stacking distance and anthracene overlap area in the pi-stacked dimers of beta-AnPS and gamma-AnPS, and (4) correlate the structural changes with the solid-state emission properties at high pressure. The proposed study will enable to deduce the effect of structural changes on the emission properties and to fine-tune their photoluminescent properties. Moreover, the proposed project will provide an answer whether by varying the distances between the anthracene molecules as well as their overlap, it is possible to modify the optical effect in a controlled manner.

本研究提案的目标如下：(1) 测定硫磷酰基蒽（thiophosphoranyl anthracenes）的三种多晶型体（α-AnPS、β-AnPS、γ-AnPS）的晶体结构高压稳定性；(2) 评估压力诱导的分子堆积与分子间相互作用变化；(3) 明确β-AnPS与γ-AnPS的π堆积二聚体中，π堆积距离及蒽环重叠面积随压力的演化规律；(4) 建立高压下结构变化与固态发光性能之间的关联。本拟开展的研究将阐明结构变化对发光性能的影响，并实现其光致发光性能的精准调控。此外，本项目将解答如下科学问题：通过调整蒽分子间的距离及其重叠程度，能否以可控方式调控其光学效应？