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Issue 20, 2019
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Synthesis, crystal structures and nonlinear optical properties of β-RbCdI3·H2O and CsCdI3·H2O

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Abstract

Searching for new IR nonlinear optical (NLO) crystals with a high laser damage threshold (LDT) is still a challenge. In this paper, two new halides, β-RbCdI3·H2O and CsCdI3·H2O, have been synthesized by a conventional solution reaction. Both of them crystallize in the monoclinic space group Pc (no. 7). In their crystal structures, all the corner-sharing [CdI4] tetrahedra connect with each other to form 1D chains, which further connect with [Rb(H2O)]+/[Cs(H2O)]+ complexes to form three-dimensional (3D) frameworks. All the polar [CdI4]2− groups align in such a way that results in a favorable net polarization. Powder second-harmonic generation (SHG) measurements indicate that β-RbCdI3·H2O and CsCdI3·H2O show phase-matchable SHG responses of 2.7 and 2.6 times that of KH2PO4 (KDP). The infrared transmission range can reach 21 μm. The UV-vis diffuse reflectance spectra indicate that the band gaps of β-RbCdI3·H2O and CsCdI3·H2O are about 3.26 and 3.54 eV, respectively. A preliminary measurement indicates that the LDT of their powders is about 90 and 100 MW cm−2, respectively, suggesting that β-RbCdI3·H2O and CsCdI3·H2O are two new promising IR NLO materials. Their band structure and optical property calculations based on DFT methods are carried out.

Graphical abstract: Synthesis, crystal structures and nonlinear optical properties of β-RbCdI3·H2O and CsCdI3·H2O

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Publication details

The article was received on 03 Apr 2019, accepted on 15 Apr 2019 and first published on 16 Apr 2019


Article type: Paper
DOI: 10.1039/C9DT01408J
Dalton Trans., 2019,48, 6787-6793

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    Synthesis, crystal structures and nonlinear optical properties of β-RbCdI3·H2O and CsCdI3·H2O

    Q. Wu, X. Liu, S. Xu, H. Pi, X. Han, Y. Liu and Y. Li, Dalton Trans., 2019, 48, 6787
    DOI: 10.1039/C9DT01408J

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