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RESEARCH PAPER · Chemical Science · 2022

Wide bandgaps and strong SHG responses of hetero-oxyfluorides by dual-fluorination-directed bandgap engineering

Yilei Hu, Xingxing Jiang, Tianhui Wu, Yanyan Xue, Chao Wu, Zhipeng Huang, Zheshuai Lin, Jun Qiang Xu, Mark Graeme Humphrey, Chi Zhang

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Wide bandgaps and strong SHG responses of hetero-oxyfluorides by dual-fluorination-directed bandgap engineeringOriginal(C 5 H 6.16 N 2 Cl 0.84 )(IO 2 Cl 2 ): a birefringent crystal featuring unprecedented (IO 2 Cl 2 ) − anions and π-conjugated organic cations56Remarkable 980 nm circularly polarized luminescence from dinuclear Yb( iii ) helicates with a D 4 symmetry19Toward Large Second-Harmonic Generation and Deep-UV Transparency in Strongly Electropositive Transition Metal Sulfates112CsHfF4(IO3): A Hafnium Iodate Exhibiting a Strong Second-Harmonic-Generation Effect and a Wide Band Gap Achieved by Mixed-Ligand Acentric Coordination8Advances in aliovalent substitution strategy for the design and synthesis of nonlinear optical materials: d0 transition metal/gallium iodates and selenites70A selenite containing unusual [Ga2F(Se2O5)4(HSeO3)2]5- clusters with the polarization ‘lighted’ by F− anions15Halide-Induced Band Gap Enhancement from Ba2SnSe4 to KBa2SnSe4Cl2α- and β-(C4H5N2O)(IO3)·HIO3: Two SHG Materials Based on Organic–Inorganic Hybrid Iodates14A survey of stereoactive oxysalts for linear and nonlinear optical applications40Ultrashort Phase‐Matching Wavelength and Strong Second‐Harmonic Generation in Deep‐UV‐Transparent Oxyfluorides by Covalency Reduction33Ultrashort Phase‐Matching Wavelength and Strong Second‐Harmonic Generation in Deep‐UV‐Transparent Oxyfluorides by Covalency Reduction3Secondary‐Bond‐Driven Construction of a Polar Material Exhibiting Strong Broad‐Spectrum Second‐Harmonic Generation and Large Birefringence9Secondary‐Bond‐Driven Construction of a Polar Material Exhibiting Strong Broad‐Spectrum Second‐Harmonic Generation and Large Birefringence41Ba 2 Ga 2 F 6 (IO 3 )(PO 4 ): the first fluoride-containing iodate-phosphate with a 1D [Ga 2 F 6 (IO 3 )(PO 4 )] 4− helix chain2Pb 2 (SeO 3 )(SiF 6 ): the first selenite fluorosilicate with a wide bandgap and large birefringence achieved through perfluorinated group modification45Pb 2 Ga 3 F 6 (SeO 3 ) 2 X 3 ·2H 2 O (X = Cl, Br): two new HTO-type members exhibiting large NLO effects mediated by ionic mixing and substitution strategies10Improving the Performance of Birefringent Crystals by Molecular Assembly Strategy in the Solar‐Blind UV Region14Breaking the Deep‐UV Transparency/Optical Nonlinearity Trade‐Off: Three‐Parameter Optimization in Oxyfluorides by Tailoring d 0 ‐Metal Incorporation10Breaking the Deep‐UV Transparency/Optical Nonlinearity Trade‐Off: Three‐Parameter Optimization in Oxyfluorides by Tailoring d 0 ‐Metal Incorporation4A Band‐Orientation Co‐Anchoring Strategy for the Design of a High‐Performance Mid‐Infrared Nonlinear Optical Crystal2A Band‐Orientation Co‐Anchoring Strategy for the Design of a High‐Performance Mid‐Infrared Nonlinear Optical Crystal12Recent achievements of d0 transition-metal-based oxyfluorides: Crystal chemistry and application in second-order NLO materials10ZnGa(SeO 3 ) 2 F: a UV transparent birefringent crystal explored in M( ii )–IIIA–selenite–F systems2A multi-scale birefringence modulation strategy in DUV/UV crystals induced by organic cations1Anionic configuration extension induced birefringence enhancement in vanadium iodate oxyfluorides0C 6 H 7 NCl·X (X = Cl, Br): Outstanding Multifunctional Nonlinear Optical and Birefringent Crystals Enabled by Incorporation of π‐Conjugated Moieties2Tunable thermal expansion from positive, zero to strong negative in α-Zn2V2O7-based compounds via crystal field engineering4Cation-driven symmetry breaking in rare-earth borates toward ultraviolet nonlinear optical materials1

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  1. (C 5 H 6.16 N 2 Cl 0.84 )(IO 2 Cl 2 ): a birefringent crystal featuring unprecedented (IO 2 Cl 2 ) − anions and π-conjugated organic cations

    Chemical Science · 2023-01-01

    Qianqian Chen, Chun‐Li Hu, Mingzhi Zhang, Jiang‐Gao Mao

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  2. Remarkable 980 nm circularly polarized luminescence from dinuclear Yb( iii ) helicates with a D 4 symmetry

    Inorganic Chemistry Frontiers · 2023-01-01

    Lingli Wang, Zhiwei Yao, Wenru Huang, Ting Gao, Peng‐Fei Yan, Yanyan Zhou, Hongfeng Li

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  3. Toward Large Second-Harmonic Generation and Deep-UV Transparency in Strongly Electropositive Transition Metal Sulfates

    Journal of the American Chemical Society · 2023-01-12

    Chao Wu, Chunbo Jiang, Guangfeng Wei, Xingxing Jiang, Zujian Wang, Zheshuai Lin, Zhipeng Huang, Mark Graeme Humphrey, Chi Zhang

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  4. CsHfF4(IO3): A Hafnium Iodate Exhibiting a Strong Second-Harmonic-Generation Effect and a Wide Band Gap Achieved by Mixed-Ligand Acentric Coordination

    Inorganic Chemistry · 2023-02-15

    Yu Huang, Bingxuan Li, Chun‐Li Hu, Bing‐Ping Yang, Jiang‐Gao Mao

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  5. Advances in aliovalent substitution strategy for the design and synthesis of nonlinear optical materials: d0 transition metal/gallium iodates and selenites

    Coordination Chemistry Reviews · 2023-05-22

    Zhiyong Bai, Kang Min Ok

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  6. A selenite containing unusual [Ga2F(Se2O5)4(HSeO3)2]5- clusters with the polarization ‘lighted’ by F− anions

    Materials Today Physics · 2023-06-01

    Jingru Zhang, Hongwei Yu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongping Wu

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  7. Halide-Induced Band Gap Enhancement from Ba2SnSe4 to KBa2SnSe4Cl

    Crystal Growth & Design · 2023-07-20

    Xianghe Meng, Jinlong Shi, Mengran Sun, Jiyong Yao

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  8. α- and β-(C4H5N2O)(IO3)·HIO3: Two SHG Materials Based on Organic–Inorganic Hybrid Iodates

    Inorganic Chemistry · 2023-08-11

    Qianqian Chen, Chun‐Li Hu, Mingzhi Zhang, Bingxuan Li, Jiang‐Gao Mao

    Read original paper ↗ ·

  9. A survey of stereoactive oxysalts for linear and nonlinear optical applications

    Materials Today Physics · 2023-08-12

    Pengfei Li, Jiang‐Gao Mao, Fang Kong

    Read original paper ↗ ·

  10. Ultrashort Phase‐Matching Wavelength and Strong Second‐Harmonic Generation in Deep‐UV‐Transparent Oxyfluorides by Covalency Reduction

    Angewandte Chemie International Edition · 2023-11-06

    Yilei Hu, Chao Wu, Xingxing Jiang, Kaining Duanmu, Zhipeng Huang, Zheshuai Lin, Mark Graeme Humphrey, Chi Zhang

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  11. Ultrashort Phase‐Matching Wavelength and Strong Second‐Harmonic Generation in Deep‐UV‐Transparent Oxyfluorides by Covalency Reduction

    Angewandte Chemie · 2023-11-06

    Yilei Hu, Chao Wu, Xingxing Jiang, Kaining Duanmu, Zhipeng Huang, Zheshuai Lin, Mark Graeme Humphrey, Chi Zhang

    Read original paper ↗ ·

  12. Secondary‐Bond‐Driven Construction of a Polar Material Exhibiting Strong Broad‐Spectrum Second‐Harmonic Generation and Large Birefringence

    Angewandte Chemie · 2023-12-20

    Tianhui Wu, Xingxing Jiang, Kaining Duanmu, Chao Wu, Zheshuai Lin, Zhipeng Huang, Mark Graeme Humphrey, Chi Zhang

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  13. Secondary‐Bond‐Driven Construction of a Polar Material Exhibiting Strong Broad‐Spectrum Second‐Harmonic Generation and Large Birefringence

    Angewandte Chemie International Edition · 2023-12-20

    Tianhui Wu, Xingxing Jiang, Kaining Duanmu, Chao Wu, Zheshuai Lin, Zhipeng Huang, Mark Graeme Humphrey, Chi Zhang

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  14. Ba 2 Ga 2 F 6 (IO 3 )(PO 4 ): the first fluoride-containing iodate-phosphate with a 1D [Ga 2 F 6 (IO 3 )(PO 4 )] 4− helix chain

    Dalton Transactions · 2024-01-01

    Miao‐Bin Xu, Jiajia Li, Huai‐Yu Wu, Nan Ma, Ning Yu, Mo-Fan Zhuo, Jin Chen, Ke‐Zhao Du

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  15. Pb 2 (SeO 3 )(SiF 6 ): the first selenite fluorosilicate with a wide bandgap and large birefringence achieved through perfluorinated group modification

    Chemical Science · 2024-01-01

    Pengfei Li, Chun‐Li Hu, Jiang‐Gao Mao, Fang Kong

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  16. Pb 2 Ga 3 F 6 (SeO 3 ) 2 X 3 ·2H 2 O (X = Cl, Br): two new HTO-type members exhibiting large NLO effects mediated by ionic mixing and substitution strategies

    Journal of Materials Chemistry C · 2024-01-01

    Lili Liu, Junbo Wang, Bingchen Xiao, Xunchi Li, Yaoqing Chu, Tongqing Sun, P. Shiv Halasyamani

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  17. Improving the Performance of Birefringent Crystals by Molecular Assembly Strategy in the Solar‐Blind UV Region

    Small · 2025-05-05

    Guangsheng Xu, Chenhui Hu, Huimin Li, Juanjuan Lu, Zhihua Yang, Jian Wei Han, Shilie Pan

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  18. Breaking the Deep‐UV Transparency/Optical Nonlinearity Trade‐Off: Three‐Parameter Optimization in Oxyfluorides by Tailoring d 0 ‐Metal Incorporation

    Angewandte Chemie International Edition · 2025-09-16

    Xiaotian Zhang, Xingxing Jiang, Hui Gao, Kaining Duanmu, Chao Wu, Zheshuai Lin, Zhipeng Huang, Mark Graeme Humphrey, Chi Zhang

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  19. Breaking the Deep‐UV Transparency/Optical Nonlinearity Trade‐Off: Three‐Parameter Optimization in Oxyfluorides by Tailoring d 0 ‐Metal Incorporation

    Angewandte Chemie · 2025-09-16

    Xiaotian T. Zhang, Xingxing Jiang, Hui Ming Gao, Kaining Duanmu, Chao Wu, Zheshuai Lin, Zhipeng Huang, Mark Graeme Humphrey, Chi Zhang

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  20. A Band‐Orientation Co‐Anchoring Strategy for the Design of a High‐Performance Mid‐Infrared Nonlinear Optical Crystal

    Angewandte Chemie · 2025-10-17

    Haochen Li, Haotian Tian, Pifu Gong, Tianyu Wang, Hongyu Liu, Bing Li, Qian Wu, Mingjun Xia

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  21. A Band‐Orientation Co‐Anchoring Strategy for the Design of a High‐Performance Mid‐Infrared Nonlinear Optical Crystal

    Angewandte Chemie International Edition · 2025-10-17

    Haochen Li, Haotian Tian, Pifu Gong, Tianyu Wang, Hongyu Liu, Bing Li, Qian Wu, Mingjun Xia

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  22. Recent achievements of d0 transition-metal-based oxyfluorides: Crystal chemistry and application in second-order NLO materials

    Coordination Chemistry Reviews · 2025-11-06

    Tianhui Wu, Jiahang Liu, Meiqi Liu, Xuan Li, Miao Zhang, Weiwei Cao, Jianmin Gu, Desong Wang

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  23. ZnGa(SeO 3 ) 2 F: a UV transparent birefringent crystal explored in M( ii )–IIIA–selenite–F systems

    Inorganic Chemistry Frontiers · 2025-12-20

    Tian-Tian He, C Hu, Ya-Ping Gong, Jiang‐Gao Mao, Fang Kong

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  24. A multi-scale birefringence modulation strategy in DUV/UV crystals induced by organic cations

    Materials Chemistry Frontiers · 2026-01-01

    Zhi Fang, G Xu, Wenhu Wang, Huanhuan Wang, Jian Wei Han

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  25. Anionic configuration extension induced birefringence enhancement in vanadium iodate oxyfluorides

    Chemical Communications · 2026-01-01

    Bo Yu, Hongping Wu, Zhanggui Hu, Hongwei Yu

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  26. C 6 H 7 NCl·X (X = Cl, Br): Outstanding Multifunctional Nonlinear Optical and Birefringent Crystals Enabled by Incorporation of π‐Conjugated Moieties

    Advanced Optical Materials · 2026-02-28

    Chuanying Shen, Jiaxi Ding, Zhengao Xie, Kang Yang, Xunwang Yan, Bingbing Zhang, Kui Wu, Jiyang Wang, Duanliang Wang

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  27. Tunable thermal expansion from positive, zero to strong negative in α-Zn2V2O7-based compounds via crystal field engineering

    Materials Today · 2026-04-07

    Xiangkai Hao, Shibo Zhao, Qilong Gao, Baodi Sheng, Yongqiang Qiao, Shintaro Kobayashi, Shogo Kawaguchi, Jun Chen

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  28. Cation-driven symmetry breaking in rare-earth borates toward ultraviolet nonlinear optical materials

    Materials Today Physics · 2026-07-04

    D K Li, Yujie Zhang, H Liu, Hongping Wu, Zhanggui Hu, Hongwei Yu

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