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M6[Cd2(CO3)2(B12O18)(OH)6] (M = K, Rb): Borate–Carbonates with Two CdCO3 Embedded in a Cyclic Oxoboron Anion
Inorganic Chemistry ( IF 4.6 ) Pub Date : 2024-05-09 , DOI: 10.1021/acs.inorgchem.4c01367 Wei-Feng Chen 1 , Mei-Jun Zou 1 , Jing-Jing Li 1 , Yi-Nan Zhang 1 , You-Zhao Lan 1 , Jian-Wen Cheng 1 , Guo-Yu Yang 2
Inorganic Chemistry ( IF 4.6 ) Pub Date : 2024-05-09 , DOI: 10.1021/acs.inorgchem.4c01367 Wei-Feng Chen 1 , Mei-Jun Zou 1 , Jing-Jing Li 1 , Yi-Nan Zhang 1 , You-Zhao Lan 1 , Jian-Wen Cheng 1 , Guo-Yu Yang 2
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Two metal borate–carbonates, M6[Cd2(CO3)2(B12O18)(OH)6] [M = K (1), Rb (2)], were obtained under surfactant-thermal conditions. In 1 and 2, each cyclic [(B12O18)(OH)6]6– anion captures two CdCO3 in two sides of the rings and finally forms the unusual (CdCO3)2@[(B12O18)(OH)6] cluster. Both 1 and 2 show moderate birefringence. Density functional theory calculations indicate that carbonate groups have a major contribution to electron-related optical transition.
中文翻译：
M6[Cd2(CO3)2(B12O18)(OH)6] (M = K, Rb)：硼酸盐-碳酸盐，两个 CdCO3 嵌入环状氧硼酸阴离子中
两种金属硼酸盐-碳酸盐，M 6 [Cd 2 (CO 3 ) 2 (B 12 O 18 )(OH) 6 ] [M = K (1), Rb (2)]，在表面活性剂热条件下获得。在 1 和 2 中，每个环状 [(B 12 O 18 )(OH) 6 ] 6– 阴离子捕获两个 CdCO 3 在环的两侧，最终形成不寻常的 (CdCO 3 ) 2 @[(B 12 O 18 ] 簇。 1和2都显示出中等的双折射。密度泛函理论计算表明碳酸酯基团对电子相关的光学跃迁有主要贡献。
更新日期：2024-05-09
中文翻译：
M6[Cd2(CO3)2(B12O18)(OH)6] (M = K, Rb)：硼酸盐-碳酸盐，两个 CdCO3 嵌入环状氧硼酸阴离子中
两种金属硼酸盐-碳酸盐，M 6 [Cd 2 (CO 3 ) 2 (B 12 O 18 )(OH) 6 ] [M = K (1), Rb (2)]，在表面活性剂热条件下获得。在 1 和 2 中，每个环状 [(B 12 O 18 )(OH) 6 ] 6– 阴离子捕获两个 CdCO 3 在环的两侧，最终形成不寻常的 (CdCO 3 ) 2 @[(B 12 O 18 ] 簇。 1和2都显示出中等的双折射。密度泛函理论计算表明碳酸酯基团对电子相关的光学跃迁有主要贡献。
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