Variable dimensionality of the anion framework in four new borophosphates and fluoroborophosphates with short cutoff edges. Issue 7 (31st January 2022)

• Record Type: Journal Article
• Authors: Zhang, Ruonan; Guo, Siru; Wang, Xuping; Yang, Rong; Chen, Zhen; Zhang, Wenyao; Zhang, Fangfang; Guo, Zhiyong; Han, Shujuan; Yang, Zhihua
• Is Part Of: Dalton transactions. Volume 51:Issue 7(2022)
• Page Start: 2840
• Page End: 2845
• Publication Date: 2022-01-31
• Subjects: Chemistry, Inorganic -- Periodicals; Chemistry, Physical and theoretical -- Periodicals; Chemistry, Inorganic -- Periodicals; 546.05
• DOI: 10.1039/d1dt04266a
• Languages: English
• ISSNs: 1477-9226

Abstract

Abstract : Four new borophosphates and fluoroborophosphates constructed by using tetrahedral groups, which possess variable dimensionality of the anion framework, have been obtained. Abstract : Two new borophosphates, Cs3 B3 P4 O16 and Li(NH4 )2 B3 P4 O16, and two new fluoroborophosphates, K4 B2 P2 O9 F2 and Rb3 B2 PO5 F4, have been obtained via the high-temperature solution method. Single-crystal X-ray diffraction indicates that all of them exhibit various anion frameworks although they crystallize in the same space group, P 21 / c . Two-dimensional (2D) [B3 P4 O16 ]∞ layers and a 3D [B3 P4 O16 ]∞ network can be found in Cs3 B3 P4 O16 and Li(NH4 )2 B3 P4 O16, respectively, while isolated [B2 P2 O9 F2 ] and [B2 PO5 F4 ] exist in K4 B2 P2 O9 F2 and Rb3 B2 PO5 F4, respectively. The effect of the alkali metal cation size on the framework structures of Cs3 B3 P4 O16 and Li(NH4 )2 B3 P4 O16 has been discussed in detail. The IR spectra confirm their structural validity. UV-Vis-NIR diffuse reflectance spectroscopy indicates that the new compounds exhibit short cutoff edges. In addition, theoretical calculations were carried out to understand their electronic structures and optical properties.