Issue 16, 2018

RbSe3B2O9(OH) and CsSe3B2O9(OH): one dimensional boroselenite-based anionic frameworks with second harmonic generation properties

Abstract

Two new alkali boroselenites RbSe3B2O9(OH) and CsSe3B2O9(OH) have been synthesized by traditional solid-state reactions. Single-crystal X-ray diffraction study indicated that they are isostructural and adopt a new type of structure, which crystallizes in the noncentrosymmetric space group P212121. Optical diffuse reflectance spectrum studies emphasized that both are indirect optical transitions with values of 3.79 and 4.17 eV for RbSe3B2O9(OH) and CsSe3B2O9(OH), respectively. Optical analysis revealed a broad transparency window in the 0.3–8.5 μm region for both compounds. In addition, RbSe3B2O9(OH) featured a relatively weak second-harmonic-generation response, and for CsSe3B2O9(OH), the response is 0.8-times that of KH2PO4. Theoretical calculations of band structure, density of state, and linear and nonlinear optical properties were also performed to get insight into the relationships between electronic structures and their optical properties.

Graphical abstract: RbSe3B2O9(OH) and CsSe3B2O9(OH): one dimensional boroselenite-based anionic frameworks with second harmonic generation properties

Supplementary files

Article information

Article type
Paper
Submitted
30 Jan 2018
Accepted
11 Mar 2018
First published
27 Mar 2018

Dalton Trans., 2018,47, 5764-5770

RbSe3B2O9(OH) and CsSe3B2O9(OH): one dimensional boroselenite-based anionic frameworks with second harmonic generation properties

J. Zhang, Q. Wang, C. Chen, J. Luo, C. Hu, J. Song and J. Mao, Dalton Trans., 2018, 47, 5764 DOI: 10.1039/C8DT00390D

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