Polar Fluorooxoborate NaB4O6F: A Promising Material for Ionic Conduction and Nonlinear Optics.

Polar Fluorooxoborate NaB4O6F: A Promising Material for Ionic Conduction and Nonlinear Optics.
Angew Chem Int Ed Engl. 2018 Apr 17;:
Authors: Zhang Z, Wang Y, Zhang B, Yang Z, Pan S
Abstract
The search of new borates with improved functional properties has attracted considerable attention. Here, a new polar fluorooxoborate, NaB4O6F (NBF) was prepared by high-temperature solid-state reaction. NBF belongs to the AB4O6F family (A = alkali metal or ammonium)-a series of compounds undergo significant cation-dependent structural changes, and NBF is of particular interest in the family due to the special cation position. Temperature-dependent ionic conductivity measurement indicates that NBF is a new solid ionic conductor, and it shows the lowest active energy of 32.5 kJ·mol-1 in fluorooxoborates. In addition, NBF also shows a second-harmonic generation (SHG) response of 0.9 × KH2PO4 and 0.2 × β-BaB2O4, at 1064 and 532 nm, respectively, and it has a short UV cutoff edge below 180 nm. Based on the bond valence (BV) concepts, symmetry analysis and the first principles calculation, it reveals that the unique [B4O6F]∞ layer can be regarded as the "multifunctional unit", which is responsible for the observed properties of NBF. This contribution will promote to develop new fluorooxoborates as bifunctional or multifunctional materials.
PMID: 29663612 [PubMed - as supplied by publisher]

Source: Angewandte Chemie - April 17, 2018 Category: Chemistry Authors: Zhang Z, Wang Y, Zhang B, Yang Z, Pan S Tags: Angew Chem Int Ed Engl Source Type: research