COST D35 Collaboration Optically and electronically controlled states of metal-based molecular systems. Experiment and theory

COST D35 协作 以光学和电子方式控制金属分子系统的状态。

• 批准号: EP/E017533/1
• 负责人: A Vlcek
• 金额: $ 2.12万
• 依托单位: Queen Mary University of London
• 依托单位国家: 英国
• 项目类别: Research Grant
• 财政年份: 2006
• 资助国家: 英国
• 起止时间: 2006 至 无数据
• 项目状态: 已结题
• 来源: https://gtr.ukri.org/projects?ref=EP%2FE017533%2F1
• 关键词: COST; D35; Collaboration; Optically; electronically

An international collaborative project entitled Optically and electronically controlled states of metal-based molecular systems. Experiment and theory was established in January 06 within the new COST Action D35 From Molecules to Molecular Devices: Control of Electronic, Photonic, Magnetic and Spintronic Behaviour . This project combines the efforts of 11 leading European laboratories in chemical synthesis, state-of-the-art laser spectroscopy, electrochemistry, and theory to achieve a comprehensive understanding and control of electron transfer, charge separation, and transmission of electronic effects in multicomponent metal-based molecular assemblies . The London group at Queen Mary, University of London plays a central and leading role in this programme, the PI being its coordinator and the chair of the D35 Action. The funding being applied for will enable the London group to participate actively in this European collaboration.We will focus on new photoactive metal-containing compounds. The research will proceed from investigations of the structures and dynamic evolution of their excited states to understanding of their relaxation processes and, finally, of photoinduced electron transfer. It is the latter process which leads to charge separation and various molecular functions, applicable in molecular devices. By understanding and controlling excited-state characters and relaxation dynamics, we expect to find means to accelerate and control transfer and excited-state charge separation. We will also address unique and relevant features of transition-metal photophysics, such as sub-picosecond intersystem crossing to triplet states, ultrafast release of excess energy during relaxation, extensive medium reorganization, etc., whose potential for applications in molecular devices needs to be assessed. These complex tasks will be approached by combined experimental and theoretical investigations, employing state-of-the-art structure-sensitive time-resolved IR (TRIR) and Raman spectroscopy, picosecond X-ray absorption, ultrafast UV-Vis and fluorescence up-conversion spectroscopy, together with modern quantum chemical and molecular dynamics computational techniques. Collaborations will expand our synthetic base, increase the range of chemical systems for our photophysical studies, allow us to combine our experimental work with high-level quantum chemical calculations, and provide us with an access to state-of-the art experimental techniques (ultrafast time-resolved UV-Vis, X-ray, and 2D-IR spectroscopy, fluorescence up-conversion), some of which are unavailable in the UK. Funding of this collaboration will thus multiply our experimental facilities, manpower and expertise to the benefit of the research performed in the UK, as well as in the collaborating European labs.

一个国际合作项目，题为金属基分子系统的光学和电子控制状态。实验和理论于2006年1月在新的COST行动D35中建立，从分子到分子器件：电子，光子，磁性和自旋行为的控制。该项目结合了11个欧洲领先的化学合成，最先进的激光光谱学，电化学和理论实验室的努力，以实现对多组分金属分子组装中电子转移，电荷分离和电子效应传输的全面理解和控制。伦敦大学玛丽皇后学院的伦敦小组在这一方案中发挥了核心和领导作用，国际和平研究所是其协调员和D35行动的主席。所申请的资金将使伦敦小组能够积极参与这项欧洲合作。我们将专注于新的光活性含金属化合物。研究将从结构和激发态的动态演化的调查，了解他们的弛豫过程，最后，光诱导电子转移。正是后一个过程导致电荷分离和各种分子功能，适用于分子器件。通过理解和控制激发态特征和弛豫动力学，我们期望找到加速和控制转移和激发态电荷分离的方法。我们还将讨论过渡金属电子物理学的独特和相关特征，例如亚皮秒的系间跃迁到三重态，弛豫过程中多余能量的超快释放，广泛的介质重组等，其在分子器件中的应用潜力需要评估。这些复杂的任务将通过实验和理论研究相结合，采用最先进的结构敏感的时间分辨红外（TRIR）和拉曼光谱，皮秒X射线吸收，超快紫外-可见光和荧光上转换光谱，以及现代量子化学和分子动力学计算技术。合作将扩大我们的合成基地，增加我们的化学物理研究的化学系统的范围，使我们能够联合收割机结合我们的实验工作与高层次的量子化学计算，并为我们提供了一个访问国家的最先进的实验技术（超快时间分辨紫外可见光谱，X射线和二维红外光谱，荧光上转换），其中一些是在英国不可用。因此，这项合作的资金将使我们的实验设施，人力和专业知识成倍增加，以利于在英国以及欧洲合作实验室进行的研究。