CAS Key Laboratory of Functional Materials and Devices for Special, Environments, Xinjiang Technical Institute of Physics and) Chemistry, CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, 40-1 South Beijing Road, Urumqi, 830011, P. R. China.
University of Chinese Academy of Sciences, Beijing, 100049, P. R. China.
Chemistry. 2019 Jan 24;25(5):1221-1226. doi: 10.1002/chem.201804995. Epub 2019 Jan 7.
The first rare earth metal iodate fluoride, Ce(IO ) F ⋅H O, was synthesized by a hydrothermal method. In the structure, CeO F polyhedra connect with isolated IO groups to form 1D infinite [Ce(IO ) F ] chains, which interconnect with each other by weak hydrogen bonds to construct the whole structure. Ce(IO ) F ⋅H O produces a large second harmonic generation response, which is three times that of potassium dihydrogenphosphate. Theoretical calculations with DFT and dipole moments were performed to illustrate the relationships between the structure and the properties. The results show that Ce(IO ) F ⋅H O is a new iodate fluoride with novel structure and potential applications in nonlinear optics.
首例稀土金属碘酸氟化物 Ce(IO ) F ⋅H O 通过水热法合成。在结构中，CeO F 多面体与孤立的 IO 基团相连，形成 1D 无限 [Ce(IO ) F ] 链，通过弱氢键相互连接，构成整个结构。Ce(IO ) F ⋅H O 产生了大的二次谐波响应，是磷酸二氢钾的三倍。通过 DFT 和偶极矩的理论计算来说明结构与性能之间的关系。结果表明，Ce(IO ) F ⋅H O 是一种具有新颖结构的新型碘酸氟化物，在非线性光学中有潜在的应用。
