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

Date

2017

Authors

Wu, Chao
Li, Longhua
Song, Junling
Yang, Gang
Humphrey, Mark
Zhang, Chi

Journal Title

Journal ISSN

Volume Title

Publisher

Royal Society of Chemistry

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 P1 and R3c, 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 P62c, 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

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Citation

Source

Inorganic Chemistry Frontiers

Type

Journal article

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Access Statement

Open Access

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