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Structural Design of Two Fluorine–Beryllium Borates BaMBe2(BO3)2F2 (M = Mg, Ca) Containing Flexible Two-Dimensional [Be3B3O6F3]∞ Single Layers without Structural Instability Problems
Inorganic Chemistry ( IF 4.3 ) Pub Date : 2017-09-08 00:00:00 , DOI: 10.1021/acs.inorgchem.7b01627 Shu Guo 1, 2 , Xingxing Jiang 1, 2 , Mingjun Xia 1 , Lijuan Liu 1 , Zhi Fang 1, 2 , Qian Huang 1, 2 , Ruofei Wu 1, 2 , Xiaoyang Wang 1 , Zheshuai Lin 1 , Chuangtian Chen 1
Inorganic Chemistry ( IF 4.3 ) Pub Date : 2017-09-08 00:00:00 , DOI: 10.1021/acs.inorgchem.7b01627 Shu Guo 1, 2 , Xingxing Jiang 1, 2 , Mingjun Xia 1 , Lijuan Liu 1 , Zhi Fang 1, 2 , Qian Huang 1, 2 , Ruofei Wu 1, 2 , Xiaoyang Wang 1 , Zheshuai Lin 1 , Chuangtian Chen 1
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Molecular structural design is a compelling strategy to develop new compounds and optimize the crystal structure by atomic-scale manipulation. Herein, two fluorine–beryllium borates, BaMgBe2(BO3)2F2 and BaCaBe2(BO3)2F2, have been rationally designed to overcome the structural instability problems of Sr2Be2B2O7 (SBBO). When relatively large Ba atoms were introduced, the [Be6B6O15]∞ double layers of SBBO were successfully broken, generating flexible [Be3B3O6F3]∞ single layers. Also, the strategy adopted in this work has many implications in understanding the structural chemistry and designing novel optical functional materials in a beryllium borate system.
中文翻译：
包含柔性二维[Be 3 B 3 O 6 F 3 ] ∞单层而无结构不稳定性问题的两个氟硼酸硼酸盐BaMBe 2（BO 3）2 F 2（M = Mg，Ca）的结构设计
分子结构设计是开发新化合物并通过原子尺度操纵优化晶体结构的引人注目的策略。在此，为了克服Sr 2 Be 2 B 2 O 7（SBBO）的结构不稳定性问题，已经合理设计了两种氟硼酸钡，即BaMgBe 2（BO 3）2 F 2和BaCaBe 2（BO 3）2 F 2。。当引入相对较大的Ba原子时，[Be 6 B 6 O 15 ] ∞SBBO的双层成功破裂，生成了柔性的[Be 3 B 3 O 6 F 3 ] ∞单层。同样，这项工作中采用的策略在理解结构化学和设计硼酸铍系统中的新型光学功能材料方面也具有许多含义。
更新日期：2017-09-08
中文翻译：
包含柔性二维[Be 3 B 3 O 6 F 3 ] ∞单层而无结构不稳定性问题的两个氟硼酸硼酸盐BaMBe 2（BO 3）2 F 2（M = Mg，Ca）的结构设计
分子结构设计是开发新化合物并通过原子尺度操纵优化晶体结构的引人注目的策略。在此，为了克服Sr 2 Be 2 B 2 O 7（SBBO）的结构不稳定性问题，已经合理设计了两种氟硼酸钡，即BaMgBe 2（BO 3）2 F 2和BaCaBe 2（BO 3）2 F 2。。当引入相对较大的Ba原子时，[Be 6 B 6 O 15 ] ∞SBBO的双层成功破裂，生成了柔性的[Be 3 B 3 O 6 F 3 ] ∞单层。同样，这项工作中采用的策略在理解结构化学和设计硼酸铍系统中的新型光学功能材料方面也具有许多含义。
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