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

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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

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Publication details

The article was received on 30 Jan 2018, accepted on 11 Mar 2018 and first published on 27 Mar 2018


Article type: Paper
DOI: 10.1039/C8DT00390D
Citation: Dalton Trans., 2018, Advance Article
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    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, Advance Article , DOI: 10.1039/C8DT00390D

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