NaBaBOF: A Mixed Alkali/Alkaline-Earth Metal Fluorooxoborate with Two Unprecedented Interpenetrating Three-Dimensional B-O/F Anionic Networks and a Short Ultraviolet Cutoff Edge.

Inorg Chem

Research Center for Crystal Materials, CAS Key Laboratory of Functional Materials and Devices for Special Environments, Xinjiang Key Laboratory of Electronic Information Materials and Devices, Xinjiang Technical Institute of Physics & Chemistry of CAS, Urumqi 830011, China.

Published: March 2023

AI Article Synopsis

  • - Fluorooxoborates are emerging materials with potential for various optical applications, enhanced by including highly electronegative fluorine atoms that allow for precise structural modifications.
  • - A new compound, NaBaBOF, was successfully synthesized, featuring a unique structure made of BO and BOF units that form interconnected three-dimensional networks.
  • - Optical tests reveal that NaBaBOF has moderate birefringence and a low ultraviolet cutoff edge, suggesting it could lead to further discoveries in similar mixed alkali/alkaline-earth metal fluorooxoborate materials.

Article Abstract

Fluorooxoborates are promising yet largely untapped crystal materials for linear and nonlinear optical applications. The introduction of a strong electronegative F atom into an oxyboron anionic group offers a virtually unlimited chance for structural engineering and ultimately purposeful tuning of the macroscopic optical properties of the crystal. Herein, a new mixed alkali/alkaline-earth fluorooxoborate, NaBaBOF, was synthesized in a closed system. NaBaBOF features a [BOF] fundamental building unit (FBB), which polymerizes into two new (first example) independent interpenetrating three-dimensional (3D) B-O/F anionic networks constructed entirely from BO and BOF units. Based on optical characterizations and the first-principles calculations, NaBaBOF exhibits a moderate birefringence (0.054 @ 1064 nm) and a short ultraviolet (UV) cutoff edge (below 190 nm). The successful synthesis and characterization of NaBaBOF may speed up the subsequent discovery of other mixed alkali/alkaline-earth metal fluorooxoborates.

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Source
http://dx.doi.org/10.1021/acs.inorgchem.3c00203DOI Listing

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