New Porphycene Macrocycles for Applications in Two-Photon Absorption: Optimisation and Synthesis

这一提议将先进的响应理论计算与高效、现代的结构可变的二苯并菲的合成以及非线性激光光谱相结合，以探测一类显示出非常有希望的双光子吸收(TPA)行为的分子的结构和电子参数。与传统的励磁技术相比，TPA的使用显示出许多优点，但这些技术的应用还处于起步阶段。我们将模拟、准备和研究一类新的有希望的化合物，通过所谓的光动力疗法潜在地用于癌症的治疗。在这里，TPA有可能克服这一领域的许多问题，例如利用组织透明窗口。因此，这项建议是及时的，因为它汇集了研究这类新化合物所需的三个研究方向。在这一前景看好的芳香大环子集内具有最佳TPA性质的化合物将通过计算发现，然后通过灵活的、收敛的合成路线进行制备。因此，这项建议将汇集一个多学科小组来研究这一重要主题。

This proposal combines advanced state-of-the-art response theoretical computation with efficient, modern synthesis of structurally variable dibenzoporphycenes, and non-linear laser spectroscopy to probe structural and electronic parameters in a class of molecules that show very promising two-photon absorption (TPA) behaviour. The use of TPA shows many advantages over conventional excitation techniques, however, applications of these techniques are still in their infancy. We will model, prepare and study a new class of promising compounds for potential use in the treatment of cancer via what is known as photodynamic therapy. Here, TPA has the potential overcome many issues in this field, for example exploiting the tissue transparency window. This proposal is thus timely as it brings together the three strands of research required to investigate this new class of compounds. Compounds within this promising subset of aromatic macrocycles with optimal TPA properties will be discovered computationally and then prepared by flexible, convergent synthetic routes. This proposal will thus bring together a multi-disciplinary team to study this important topic.