Issue 3, 2019

Fluoroborophosphates: a family of potential deep ultraviolet NLO materials

Abstract

A series of new acentric fluoroborophosphates, namely, RbBPO4F, CsBPO4F and (NH4)2BPO4F2, have been obtained by combining BO3F or BO2F2 with a PO4 tetrahedron. The structures of the isomeric RbBPO4F and CsBPO4F feature a three-dimensional diamond framework, in which a BO3F (or PO4) tetrahedron corner is shared with three PO4 (or BO3F) tetrahedra, forming 1D tunnels of eight-membered rings (MRs) along the three axial directions, which are filled with alkali cations. (NH4)2BPO4F2 exhibits a 3D supramolecular structure, in which 1D [BPO4F2] anionic chains along the a axes based on corner-sharing and alternating PO4 and BO2F2 tetrahedra are further interconnected with ammonium cations by electrostatic attractions and hydrogen bonds. RbBPO4F, CsBPO4F and (NH4)2BPO4F2 display second-harmonic generation (SHG) signals approximately 0.4, 0.6 and 0.8 times that of KH2PO4 (KDP) and exhibit short UV absorption edges (<200 nm). Measurements of thermal stability and optical properties and theoretical calculations have also been performed.

Graphical abstract: Fluoroborophosphates: a family of potential deep ultraviolet NLO materials

Supplementary files

Article information

Article type
Research Article
Submitted
03 Jan 2019
Accepted
24 Jan 2019
First published
24 Jan 2019

Inorg. Chem. Front., 2019,6, 723-730

Fluoroborophosphates: a family of potential deep ultraviolet NLO materials

B. Wu, C. Hu, R. Tang, F. Mao, J. Feng and J. Mao, Inorg. Chem. Front., 2019, 6, 723 DOI: 10.1039/C9QI00006B

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