小尺寸IB族金属团簇的气/液相合成与发光机制研究

发光性金属纳米团簇（NCs）由于具有金属内核可调性与配体工程多样性的特点，对于深入探究新型金属-有机光功能材料和相关体系激发态过程具有重要意义。本项目拟选取IB族金属元素作为团簇内核，以π共轭有机小分子（如苯硫酚、三苯基膦等）为配体，利用湿法合成与溶液光谱、气相合成与分子束发光、理论计算三方面相结合的方法，深入开展小尺寸IB族金属团簇的发光机制研究。通过调节金属核与有机配体的组成和尺寸，对比考察液相与气相中几何和电子结构及其中的能量传递、电子转移过程对发光性质的影响，诠释金属团簇发光涉及的电子跃迁机制，为完善金属-有机复合体系的激发态理论提供依据，并期为设计制备性能优异的新型发光材料开拓精准化学的思路。

It is recognized of significance for recent uprising research interest devoted to luminescent metal nanoclusters due to the tunability of metal cores and the diversity of ligand engineering, enabling to explore new functional materials and to address a few pending issues of excited state theory. Herein, we propose a study of luminescence mechanism based on small group IB metal clusters with small π-conjugated molecules as the ligands by a joint gas-phase & wet-chemistry experiments and DFT calculations. By varying the element ratio and size of the clusters, the luminescence property can be systematically studied enabling to unveil the electronic transition principles of such NCs with dependence on geometric and electronic structures, electron transfer and energy transfer processes, etc. It is anticipated that studies around this proposal could help developing the excited state theory of metal-organic chemicals and pave a way for new optical functional materials.