5 years ago

Design and Synthesis of a Series of Novel Mixed Borate and Carbonate Halides

Design and Synthesis of a Series of Novel Mixed Borate and Carbonate Halides
Junben Huang, Zhihua Yang, Shilie Pan, Xiaoyu Dong, Yun Yang, Lili Liu
Combining different functional units together has been regarded as the most ideal strategy to design and synthesize new inorganic materials. Based on numerous experiments, it was possible to assemble three kinds of anion groups together and find a series of novel mixed borate and carbonate halides, Rb9[B4O5(OH)4]3(CO3)X⋅7 H2O (X=Cl, Br, and I) and K9[B4O5(OH)4]3(CO3)X⋅7 H2O (X=OH and I). Based on the structural template of these compounds, we also obtained the NaRb6[B4O5(OH)4]3X (X=OH, I) crystals through replacement of the CO3 group with the NaO6 octahedron, which results in the crystal structural changes from P6‾ 2c to R32. In addition, it has been confirmed that the replacement of the CO3 group by the alkali cation has an influence on the band gaps, according to the experimental results and theoretical calculations. Meanwhile, millimeter-scale crystals of Rb9[B4O5(OH)4]3(CO3)I⋅7 H2O, K9[B4O5(OH)4]3(CO3)I⋅7 H2O, K9[B4O5(OH)4]3(CO3)OH⋅7 H2O and NaRb6[B4O5(OH)4]3OH were also obtained after adjusting their growing conditions. Mix it up: A series of mixed borate and carbonate halides have been synthesized. NaO6 octahedra and CO3 groups act as the critical factor to control crystal structural changes between Rb9[B4O5(OH)4]3(CO3)I⋅7 H2O and NaRb6[B4O5(OH)4]3I.

Publisher URL: http://onlinelibrary.wiley.com/resolve/doi

DOI: 10.1002/chem.201701926

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