NaRbB3 O4 F3 : A New Fluorooxoborate with a Short UV Cutoff Edge Enriching the Structural Chemistry of Borate

Rui Zhang; Jie Zhang; Zhihua Yang; Shujuan Han; Shilie Pan

doi:10.1002/asia.202100801

NaRbB₃ O₄ F₃ : A New Fluorooxoborate with a Short UV Cutoff Edge Enriching the Structural Chemistry of Borate

Chem Asian J. 2021 Oct 18;16(20):3082-3085. doi: 10.1002/asia.202100801. Epub 2021 Aug 20.

Authors

Rui Zhang¹, Jie Zhang¹, Zhihua Yang¹, Shujuan Han¹, Shilie Pan¹

Affiliation

¹ CAS Key Laboratory of Functional Materials and Devices for Special Environments, Xinjiang Technical Institute of Physics & Chemistry, CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, 40-1 South Beijing Road, 830011, Urumqi, P. R. China.

PMID: 34414668
DOI: 10.1002/asia.202100801

Abstract

The combination of RbB₃ O₄ F₂ and NaF generates a new member of fluorooxoborates, NaRbB₃ O₄ F₃ , with a wide transparency range from the IR to DUV region. NaRbB₃ O₄ F₃ shows a three-dimensional (3D) structure composed of 1D [B₃ O₄ F₃ ]_∞ chains, [NaO₃ F₃ ] and [RbO₅ F₅ ] polyhedra. The structural evolution from NaRbB₃ O₄ F₃ to RbB₃ O₄ F₂ , as well as the structural comparison between NaRbB₃ O₄ F₃ and its identical stoichiometry compound, Li₂ B₃ O₄ F₃ were discussed in detail. The IR spectrum verifies its structural validity. The spectral measurement shows that the reflectance has no obvious change in the range of 175-300 nm, and its cutoff edge is below 175 nm. In addition, theoretical calculations are carried out to understand its electronic structure and optical properties.

Keywords: fluorooxoborates; short UV cutoff edge; wide transparency; π- conjugated.

Abstract

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