基于IO3F优势基团构筑新型氟化碘酸盐及其光学性能研究

金属碘酸盐中的碘(V)离子由于含有孤对电子和处于不对称配位环境，可形成丰富奇特的结构。由于其具有宽透过波段、大倍频系数、高激光损伤阈值和较好的热稳定性被认为是非线性光学（NLO）等材料的潜在来源而受到广泛关注。申请人已通过水热法获得3例含氟碘酸盐，并首次发现(IO3F)2−基团，该基团相对于[IO3]−和[IO2F2]−等基团在带隙、静态极化率各向异性和超极化率均有优势。鉴于此，本项目拟通过水热法等合成方法，在碘酸盐中引入优势多功能基团[IO3F]2−和金属氟氧多面体形成耦合，研究其与宏观性能的依赖关系及规律，高效探索新型光电功能晶体。尝试揭示[IO3F]2−基团制备的调控规律和形成机制，预期获得2~3种性能优异的氟化碘酸盐，以丰富碘酸盐的结构化学。本研究对功能导向晶体材料分子设计和探索将有重要启示。

Metal iodates, which contain iodine (V) ions with lone pair electrons and in asymmetric coordination environment, can form rich and peculiar structures. Due to the wide transmission band, large frequency doubling coefficient, high laser damage threshold and better thermal stability, metal iodates are considered as potential sources of nonlinear optical (NLO) materials, which have attracted much attention. Three fluoriodate crystals have been obtained and the (IO3F)2− units have been found by us for the first time. Compared with [IO3]− and [IO2F2]− units, the (IO3F)2− units have functional advantages in band gap, static polarization anisotropy and hyperpolarizability. This project intends to introduce superior multifunctional groups [IO3F]2− and metal fluorine oxygen polyhedron to form coupling in iodate mainly by hydrothermal method to explore new optoelectronic functional crystals efficiently. We will synthesize 2~3 new fluoroiodates. In addition, to enrich the structural chemistry of iodate, we would like to reveal the regulation law and formation mechanism of IO3F groups. This work will be of great significance to the molecular design and exploration of functional oriented crystal materials.