金属-有机框架结构非线性光学性质调控及机理研究

金属-有机框架(Metal-organic frameworks，MOFs)是通过配位键将有机配体和金属离子或团簇进行自组装，从而形成具有孔隙的有机-无机杂化材料。在绝大多数的MOFs中，有机配体和金属离子的排列并不唯一，因此可以形成不同的框架和孔隙结构，从而具有不同的物理吸附性能、化学传感、催化性能，生物成像以及药物运载等。MOFs材料在现代材料学方面呈现出巨大的发展潜力和诱人的发展前景。本项目中，通过对MOFs单晶结构贯通度（Interpenetration）的调控以及引入不同种类金属离子，调控MOFs单晶晶体结构，从而实现对其非线性光学性质有效调控；建立其非线性光学性质与空间结构之间的对应关系；为推动MOFs非线性光学单晶器件的应用提供理论及实践基础。

Metal-organic frameworks (MOFs) represent crystalline molecular materials that are synthesized by combining metal-connecting points and organic bridging ligands. MOFs have emerged as an interesting class of inorganic-organic hybrid materials which can be fine-tuned at the molecular level. The modular nature of MOF synthesis has allowed systematic structural design and incorporation of various functionalities, leading to a variety of MOFs with potential applications in gas storage, chemical sensing, catalysis, biomedical imaging and drug delivery. Here, we achieve the structural transformation of MOFs through interpenetration change and introduction of bimetallic ions to realize the functionality of tunable nonlinear optical (NLO) properties of MOFs. Our work will offer an avenue to manipulate the NLO properties of MOFs and provide access to tunable single-crystal NLO devices.