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Issue 24, 2017
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Two deep-ultraviolet nonlinear optical alkaline-earth metal borates based on different types of oxoboron clusters

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Abstract

Two non-centrosymmetric alkaline-earth metal borates, Ca2[B5O8(OH)]2[B(OH)3]·H2O (1) and Ba2[B6O9(OH)2][B3O3(OH)4]·(OH)·4H2O (2), have been synthesized under solvothermal conditions. Both of them exhibit layered structures constructed from two fundamental building blocks (FBBs), respectively. 1 features porous double-layers made by the acentric single A-layer and B-layer in a face-to-face arrangement. Ca–O layers gather the B–O double-layers together resulting in the chiral structure of 1. Compound 2 contains two different FBBs, which is rare in borate. Hexaborate B6 clusters are responsible for the expansion of inorganic B6-layers while the isolated triborate B3 clusters are arranged in supermolecular B3-layers. Ba1-B6-layers and Ba2-B3-layers are alternately arranged in the same direction generating the NCS structure of 2. Both 1 and 2 are phase-matchable materials with second-harmonic generation (SHG) responses of ∼1.3 and ∼0.8 times that of KDP (KH2PO4), respectively. UV-vis diffuse reflectance spectra reveal that they have short cut-off edges lower than 200 nm. These characteristics make them potential deep-UV NLO materials. The calculations reveal that the SHG efficiency mainly originates from the synergistic effect of the distorted MOn (M = Ca, Ba; n = 7, 10, 11) polyhedra and the asymmetric π-conjugated of BO3 units.

Graphical abstract: Two deep-ultraviolet nonlinear optical alkaline-earth metal borates based on different types of oxoboron clusters

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Publication details

The article was received on 09 May 2017, accepted on 02 Jun 2017 and first published on 02 Jun 2017


Article type: Paper
DOI: 10.1039/C7DT01677H
Citation: Dalton Trans., 2017,46, 7911-7916
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    Two deep-ultraviolet nonlinear optical alkaline-earth metal borates based on different types of oxoboron clusters

    Q. Wei, L. Sun, J. Zhang and G. Yang, Dalton Trans., 2017, 46, 7911
    DOI: 10.1039/C7DT01677H

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