Issue 4, 2017

Solvent-controlled syntheses of mixed-alkali-metal borates exhibiting UV nonlinear optical properties

Abstract

The mixed-alkali-metal borates NaK(B5O8)(OH)·H2O (1), NaK6[(B4O5)(OH)4]3(OH)·C2H5OH (2) and Na0.33K1.67(B4O5)(OH)4·3H2O (3) have been solvothermally synthesized using various polar organic solvents. Compounds 1 and 2 crystallize in the centrosymmetric space groups P[1 with combining macron] and R[3 with combining macron]c, respectively. The structure of 1 features a 2D-layered framework constructed by [B5O11]7− primary building units in the ab plane, extending to a 3D framework linked by K+ and Na+ cations, while the structure of 2 can be described as isolated [B4O9]6− primary building units connected by H-bonding interactions and K–O and Na–O bonds, forming a 3D supramolecular framework. Compound 3 crystallizes in the acentric space group P[6 with combining macron]2c, and its UV nonlinear optical properties have been investigated for the first time. Second-harmonic generation (SHG) measurements show that 3 is type-I phase-matching, with a moderate SHG response ca. 0.94 times that of KH2PO4. The cut-off edge of 3 is 242 nm, which suggests that 3 is a potential UV NLO material. Density functional theory calculations have been employed on 3 to rationalize its band structure and electron density as well as the density of states.

Graphical abstract: Solvent-controlled syntheses of mixed-alkali-metal borates exhibiting UV nonlinear optical properties

Supplementary files

Article information

Article type
Research Article
Submitted
01 Jan 2017
Accepted
31 Jan 2017
First published
07 Feb 2017

Inorg. Chem. Front., 2017,4, 692-700

Solvent-controlled syntheses of mixed-alkali-metal borates exhibiting UV nonlinear optical properties

C. Wu, L. Li, J. Song, G. Yang, M. G. Humphrey and C. Zhang, Inorg. Chem. Front., 2017, 4, 692 DOI: 10.1039/C7QI00001D

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