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Polar Fluorooxoborate, NaB 4 O 6 F: A Promising Material for Ionic Conduction and Nonlinear Optics
Author(s) -
Zhang Zhizhong,
Wang Ying,
Zhang Bingbing,
Yang Zhihua,
Pan Shilie
Publication year - 2018
Publication title -
angewandte chemie
Language(s) - English
Resource type - Journals
eISSN - 1521-3757
pISSN - 0044-8249
DOI - 10.1002/ange.201803392
Subject(s) - ionic bonding , ionic conductivity , valence (chemistry) , chemistry , second harmonic generation , polar , boron , nonlinear optical , alkali metal , nonlinear optics , crystallography , analytical chemistry (journal) , ion , nonlinear system , physics , organic chemistry , laser , electrode , astronomy , quantum mechanics , optics , electrolyte
The search of new borates with improved functional properties has attracted considerable attention. Herein, a new polar fluorooxoborate, NaB 4 O 6 F (NBF) was prepared by high‐temperature solid‐state reaction. NBF belongs to the AB 4 O 6 F family (A=alkali metal or ammonium), a series of compounds that undergoes significant cation‐dependent structural changes. NBF is of particular interest owing to the special cation position. Temperature‐dependent ionic conductivity measurements show that NBF is a solid ionic conductor, and it has the lowest active energy of 32.5 kJ mol −1 of fluorooxoborates. NBF also shows a second‐harmonic generation (SHG) response of 0.9×KH 2 PO 4 and 0.2×β‐BaB 2 O 4 , at 1064 and 532 nm, respectively, and it has a short UV cutoff edge below 180 nm. Based on bond valence (BV) concepts, symmetry analysis, and the first principles calculation, the unique [B 4 O 6 F] ∞ layer can be regarded as the “multifunctional unit”, which is responsible for the observed properties of NBF.