2(C3H7N6)+·2Cl−·H2O: an ultraviolet nonlinear optical crystal with large birefrigence and strong second-harmonic generation

Lehui Liu; Chun-Li Hu; Zhiyong Bai; Feifei Yuan; Yisheng Huang; Lizhen Zhang; Zhoubin Lin

doi:10.1039/D0CC06558G

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2(C₃H₇N₆)⁺·2Cl⁻·H₂O: an ultraviolet nonlinear optical crystal with large birefrigence and strong second-harmonic generation†

Lehui Liu,

^a Chun-Li Hu,*^b Zhiyong Bai,

^ac Feifei Yuan,^a Yisheng Huang,^a Lizhen Zhang^a and Zhoubin Lin*^ad

Author affiliations

* Corresponding authors

^a Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002, P. R. China
E-mail: lzb@fjirsm.ac.cn

^b State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002, P. R. China
E-mail: clhu@fjirsm.ac.cn

^c University of the Chinese Academy of Sciences, Beijing 100049, P. R. China

^d Fujian Science & Technology Innovation Laboratory for Optoelectronic Information of China, Fuzhou, Fujian, P. R. China

Abstract

Large birefringence (Δn = 0.277 at 546 nm) and strong second-harmonic generation (SHG) intensity (4.3 × KDP) achieved a remarkable balance in a potential ultraviolet nonlinear optical crystal: 2(C₃H₇N₆)⁺·2Cl⁻·H₂O. Theoretical calculations showed that planar benzene-like π-conjugated [C₃N₆] groups had important optical properties.

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Article information

DOI: https://doi.org/10.1039/D0CC06558G
Article type: Communication
Submitted: 30 Sep 2020
Accepted: 26 Oct 2020
First published: 27 Oct 2020

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Chem. Commun., 2020,56, 14657-14660

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2(C₃H₇N₆)⁺·2Cl⁻·H₂O: an ultraviolet nonlinear optical crystal with large birefrigence and strong second-harmonic generation

L. Liu, C. Hu, Z. Bai, F. Yuan, Y. Huang, L. Zhang and Z. Lin, Chem. Commun., 2020, 56, 14657 DOI: 10.1039/D0CC06558G

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