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Target-Oriented Synthesis of Borate Derivatives Featuring Isolated [B3O3] Six-Membered Rings as Structural Features
Inorganic Chemistry ( IF 4.3 ) Pub Date : 2023-05-31 , DOI: 10.1021/acs.inorgchem.3c01112 Meng Cheng 1, 2 , Congcong Jin 1, 2 , Wenqi Jin 1, 2 , Xueling Hou 1, 2
Inorganic Chemistry ( IF 4.3 ) Pub Date : 2023-05-31 , DOI: 10.1021/acs.inorgchem.3c01112 Meng Cheng 1, 2 , Congcong Jin 1, 2 , Wenqi Jin 1, 2 , Xueling Hou 1, 2
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Borates provide an excellent platform for investigating the optical nonlinearity and linearity of crystals as photoelectric functional materials. In our work, borate derivatives with isolated [B3O3] six-membered rings as structural features are the preferred system due to their simple functional units and excellent properties. Herein, by utilizing the target-oriented synthesis, a series of borate derivatives, A2[B3O3F4(OH)] (A= NH4, Rb, Cs) (ABOFH), K2.3Cs0.7B3O3F6 (KCsBOF), and Cs3[B3O3(OH)3]Cl3 (CsBOHCl), with novel heteroanionic groups containing [BOxF4–x] (x = 0–3) and/or [BO2(OH)] units were obtained. ABOFH, KCsBOF, and CsBOHCl construct different two-dimensional pesudolayers featuring [B3O3F4(OH)], [B3O3F6], and [B3O3(OH)3] units, respectively. Also, the optical properties and the arrangement information of these anionic groups were studied. Among the total five compounds, (NH4)2[B3O3F4(OH)] and Cs3[B3O3(OH)3]Cl3 with enlarged birefringence and sufficient band gaps were screened out as promising birefringent crystals due to the optimally aligned configuration of birefringence-active heteroanionic units. The successful results of target-oriented synthesis indicate a more profound conclusion that the borate system now has more diversified structural chemistry, and an effective strategy was proposed to modify the arrangement and species of anionic units to optimize the performance of optical crystals.
中文翻译：
以孤立 [B3O3] 六元环为结构特征的硼酸盐衍生物的靶向合成
硼酸盐为研究作为光电功能材料的晶体的光学非线性和线性提供了一个极好的平台。在我们的工作中，以孤立的[B 3 O 3 ]六元环作为结构特征的硼酸盐衍生物由于其简单的功能单元和优异的性能而成为首选体系。在此，利用靶向合成，一系列硼酸盐衍生物，A 2 [B 3 O 3 F 4 (OH)] (A= NH 4 , Rb, Cs) (ABOFH)，K 2.3 Cs 0.7 B 3 O 3 F 6 (KCsBOF) 和 Cs 3 [B 3获得了O 3 (OH) 3 ]Cl 3 (CsBOHCl)，其具有包含 [BO x F 4– x ] ( x = 0–3) 和/或 [BO 2 (OH)] 单元的新型杂阴离子基团。ABOFH、KCsBOF 和 CsBOHCl 分别构建了具有 [B 3 O 3 F 4 (OH)]、[B 3 O 3 F 6 ] 和 [B 3 O 3 (OH) 3 ] 单元的不同二维拟层。此外，还研究了这些阴离子基团的光学性质和排列信息。在总共五种化合物中，（NH4 ) 2 [B 3 O 3 F 4 (OH)] 和 Cs 3 [B 3 O 3 (OH) 3 ]Cl 3具有更大的双折射和足够的带隙，由于具有最佳的排列配置，被筛选出作为有前途的双折射晶体双折射活性杂阴离子单元。靶向合成的成功结果表明硼酸盐系统现在具有更多样化的结构化学的更深刻的结论，并提出了一种有效的策略来改变阴离子单元的排列和种类以优化光学晶体的性能。
更新日期：2023-05-31
中文翻译：
以孤立 [B3O3] 六元环为结构特征的硼酸盐衍生物的靶向合成
硼酸盐为研究作为光电功能材料的晶体的光学非线性和线性提供了一个极好的平台。在我们的工作中，以孤立的[B 3 O 3 ]六元环作为结构特征的硼酸盐衍生物由于其简单的功能单元和优异的性能而成为首选体系。在此，利用靶向合成，一系列硼酸盐衍生物，A 2 [B 3 O 3 F 4 (OH)] (A= NH 4 , Rb, Cs) (ABOFH)，K 2.3 Cs 0.7 B 3 O 3 F 6 (KCsBOF) 和 Cs 3 [B 3获得了O 3 (OH) 3 ]Cl 3 (CsBOHCl)，其具有包含 [BO x F 4– x ] ( x = 0–3) 和/或 [BO 2 (OH)] 单元的新型杂阴离子基团。ABOFH、KCsBOF 和 CsBOHCl 分别构建了具有 [B 3 O 3 F 4 (OH)]、[B 3 O 3 F 6 ] 和 [B 3 O 3 (OH) 3 ] 单元的不同二维拟层。此外，还研究了这些阴离子基团的光学性质和排列信息。在总共五种化合物中，（NH4 ) 2 [B 3 O 3 F 4 (OH)] 和 Cs 3 [B 3 O 3 (OH) 3 ]Cl 3具有更大的双折射和足够的带隙，由于具有最佳的排列配置，被筛选出作为有前途的双折射晶体双折射活性杂阴离子单元。靶向合成的成功结果表明硼酸盐系统现在具有更多样化的结构化学的更深刻的结论，并提出了一种有效的策略来改变阴离子单元的排列和种类以优化光学晶体的性能。
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