Polymorphic Pb14O8I12 and Pb7O4I6 oxyhalides featuring unprecedented [O8Pb14] clusters with broad IR transparency
Polymorphic Pb14O8I12 and Pb7O4I6 oxyhalides featuring unprecedented [O8Pb14] clusters with broad IR transparency
复制标题
多晶型 Pb14O8I12 和 Pb7O4I6 卤氧化物，具有前所未有的 [O8Pb14] 簇，具有广泛的红外透明度
DOI：
10.1007/s40843-021-1799-3
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发表时间：
2021-11-10
影响因子：
8.1
通讯作者：
Pan, Shilie
中科院分区：
文献类型：
--
作者：
Jiao, Jiahao;Tudi, Abudukadi;Pan, Shilie
Wide transmittance range is an essential factor for the design of infrared optical materials. Traditionally, the designs of mid-far infrared crystals have focused on oxygen-free systems of chalcogenides and pnictides. Nevertheless, the introduction of elements with large atomic numbers, such as the lone-pair cation Pb2+ and halogen anion I-, based on the oxyhalides, can broaden the infrared transmittance range. Thus, two new polymorphs of Pb(II)-containing oxyhalides, Pb14O8I12 (alpha-POI) and Pb7O4I6 (beta-POI), are successfully synthesized via the high-temperature solution method. Interestingly, they crystallize in the same space group, P (1) over bar, and present unprecedented [O8Pb14] clusters from the perspective of oxocentered [OPb4] basic units. Remarkably, POI exhibits a quite wide transparent range (0.47-16.0 mu m), which enlightens the oxyhalides with prominent infrared optical properties. Additionally, the first principles calculations show that they have large birefringence (0.139 and 0.108 for alpha- and beta-POI at 1064 nm, respectively), which makes POI promising infrared optical materials.
