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RESEARCH PAPER · Angewandte Chemie International Edition · 2024

Structure‐Prediction‐Oriented Synthesis of Thiophosphates as Promising Infrared Nonlinear Optical Materials

Yi Bo Huang, Dongdong Chu, Yong an Zhang, Congwei Xie, Guangmao Li, Shilie Pan

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Structure‐Prediction‐Oriented Synthesis of Thiophosphates as Promising Infrared Nonlinear Optical MaterialsOriginalRE(HSeO3)(SeO3)(H2O)·(H2O) (RE = Y, Gd): Two Rare-Earth Selenite Nonlinear Optical Crystals with Wide Band Gaps6Elemental Sulfur/Selenium-Mediated Metal-Free Phosphinothioation and Phosphinoselenoation of Vinylsulfonium Salts with P–H Bonds15La 3 (Ga 3 S 3 O 3 )(Si 2 O 7 ): An Oxychalcogenide Demonstrating Ultrawide Optical Bandgap and Favorable Birefringence Propelled by Divergent Anionic Groups6Tin chalcohalide Sn 11 (PS 4 ) 4 I 10 obtained from structural-template-oriented synthesis: exhibiting balanced infrared nonlinear optical performance6Rare‐Earth Substitution Induced Symmetry Breaking for The First Sc‐Based Nonlinear Optical Chalcogenide with High‐Performance30Isovalent cation substitution drives structural transformation and infrared nonlinear optical activity in Eu-based chalcogenides11NaCaGa 3 S 6 : a mixed alkali metal and alkaline earth metal sulfide with a distinctive [Ga 5 S 10 ] ∞ layered framework0Non-centrosymmetric structures designed rationally via a “dimensionality addition” strategy toward the promising nonlinear optical family [A–X][In–Se] (A = K/Ba and Rb/Ba; X = Cl and Br)13Numerical simulation and modified Bridgman growth of high-quality and large-sized LiGaS 2 mid-infrared optical crystals1新型非线性光学晶体和双折射晶体的研究进展（特邀）4Zwitterionic Glycine-Based Antimony Fluorides with Exceptional Ultraviolet Nonlinear Optical Properties11Cd 7 I 12 Q·As 4 Q n (Q = S, Se; n = 3, 4): In Situ Alteration of Functional Molecules in Polar Metal Inorganic Framework Tailoring High‐Performance Infrared Nonlinear Optical Crystals9Vacancy-driven tetrahedral distortion leading to exceptional second harmonic generation3Tuning birefringence in alkaline-earth metal oxyhalides through diverse mixed-cation coordination architectures1A Homoatomic Heteroleptic Coordination Strategy for Exceptional Infrared Linear and Nonlinear Optical Properties in ANb 2 PS 4 (S 2 ) 3 (A = K,Rb,Cs)3Optimal three-dimensional [Ag 4 P 2 S 6 ]-framework assembly directed by a threefold roto-inversion axis for enhanced birefringence0高性能硫属化物红外非线性光学材料构效关系（特邀）0KHg 4 Ga 5 S 12 : A Diamond-like Tetrahedral Chalcogenide Exhibiting Giant Phase-Matching Second Harmonic Generation6CdY 2 Si 2 S 8 : A Wide Bandgap IR NLO Material with d 10 Metal-Induced Structure Transformation from CS to NCS1Design of a High-Performance Infrared Nonlinear Optical Crystal via a Multiple Flexible-Group Synergistic Polarization Strategy10Achieving High‐Birefringence Thiophosphates From Low Polarizability Anisotropy Units by an Axial Linear Matching Strategy1Mineral‐Inspired and Computation‐Assisted Rational Design of Polar Gittinsite‐Type Thiophosphates With Exceptional Nonlinear Optical Performance3AVP2S7 (A = K, Rb): Dual-Optimized Infrared Nonlinear Optical Thiophosphates via Heterovalent-Substitution-Driven Symmetry Breaking and Reinforced Interlayer Interactions0Laporte Selection Rule Induced the Suppression of d ‐ d Transitions and Vacancies Enhanced the Second Harmonic Generation in I 4¯‐MnGa 2 S 40

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  1. RE(HSeO3)(SeO3)(H2O)·(H2O) (RE = Y, Gd): Two Rare-Earth Selenite Nonlinear Optical Crystals with Wide Band Gaps

    Inorganic Chemistry · 2024-10-08

    Junjiang Li, Huanke Zhao, Xinyuan Zhang, Pifu Gong, Zheshuai Lin, Yicheng Wu

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  2. Elemental Sulfur/Selenium-Mediated Metal-Free Phosphinothioation and Phosphinoselenoation of Vinylsulfonium Salts with P–H Bonds

    The Journal of Organic Chemistry · 2024-12-16

    Biquan Xiong, Meng Li, Renfeng Cao, Sitong Yue, Weifeng Xu, Yu Liu, Longzhi Zhu, Kewen Tang

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  3. La 3 (Ga 3 S 3 O 3 )(Si 2 O 7 ): An Oxychalcogenide Demonstrating Ultrawide Optical Bandgap and Favorable Birefringence Propelled by Divergent Anionic Groups

    ACS Materials Letters · 2024-12-19

    Ming‐Shu Zhang, Shao‐Min Pei, Xiao‐Ming Jiang, Bin‐Wen Liu, Guo‐Cong Guo

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  4. Tin chalcohalide Sn 11 (PS 4 ) 4 I 10 obtained from structural-template-oriented synthesis: exhibiting balanced infrared nonlinear optical performance

    Inorganic Chemistry Frontiers · 2024-12-19

    Cuier Deng, Xi Qing Xu, Yuhan Hu, Jingyu Guo, Li‐Ming Wu, Ling Chen

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  5. Rare‐Earth Substitution Induced Symmetry Breaking for The First Sc‐Based Nonlinear Optical Chalcogenide with High‐Performance

    Advanced Science · 2024-12-30

    Chen‐Yi Zhao, Chun‐Li Hu, Nian‐Tzu Suen, Xiaohui Li, Haiping Xu, Wenfeng Zhou, Sheng‐Ping Guo

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  6. Isovalent cation substitution drives structural transformation and infrared nonlinear optical activity in Eu-based chalcogenides

    Inorganic Chemistry Frontiers · 2025-01-01

    Ping Feng, Shenghua Zhou, Mao‐Yin Ran, Bingxuan Li, Xin-Tao Wu, Hua Lin, Qi‐Long Zhu

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  7. NaCaGa 3 S 6 : a mixed alkali metal and alkaline earth metal sulfide with a distinctive [Ga 5 S 10 ] ∞ layered framework

    Dalton Transactions · 2025-01-01

    Jiale Chen, Haipeng Zhou, Huimin Sha, Jinfeng Liu, Xiu Zhu, Guisheng Xu, Jiankang Wang

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  8. Non-centrosymmetric structures designed rationally via a “dimensionality addition” strategy toward the promising nonlinear optical family [A–X][In–Se] (A = K/Ba and Rb/Ba; X = Cl and Br)

    Materials Horizons · 2025-01-01

    Shao‐Min Pei, Fan Wu, Ming‐Shu Zhang, Wen‐Fa Chen, Xiao‐Ming Jiang, Bin‐Wen Liu, Guo‐Cong Guo

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  9. Numerical simulation and modified Bridgman growth of high-quality and large-sized LiGaS 2 mid-infrared optical crystals

    CrystEngComm · 2025-01-01

    Chao Ma, Xingguang Li, Shi-Lei Wang, Kaihui Xu, Zerui Li, Xuan Wang, Shanpeng Wang

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  10. 新型非线性光学晶体和双折射晶体的研究进展（特邀）

    Chinese Journal of Lasers · 2025-01-01

    韩树娟 Han Shujuan, 杨志华 Yang Zhihua, 张方方 Zhang Fangfang, 李广卯 Li Guangmao, 李俊杰 Li Junjie, 吴雅博 Wu Yabo, 储冬冬 Chu Dongdong, 程孟 Cheng Meng, 张文彬 Zhang Wenbin, 丁文 Ding Wen, 潘世烈 Pan Shilie

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  11. Zwitterionic Glycine-Based Antimony Fluorides with Exceptional Ultraviolet Nonlinear Optical Properties

    Chemistry of Materials · 2025-01-20

    Yunseung Kuk, Zhiyong Bai, Yang Li, Kang Min Ok

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  12. Cd 7 I 12 Q·As 4 Q n (Q = S, Se; n = 3, 4): In Situ Alteration of Functional Molecules in Polar Metal Inorganic Framework Tailoring High‐Performance Infrared Nonlinear Optical Crystals

    Laser & Photonics Review · 2025-06-20

    Huikang Jiang, Xuemei Shi, Lihua Gao, Guangsai Yang, Guang Peng, Ning Ye, Jindong Chen

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  13. Vacancy-driven tetrahedral distortion leading to exceptional second harmonic generation

    Science China Materials · 2025-09-03

    Weiping Guo, Yongjia Zhang, Hong‐Hua Cui, Xin‐Xiong Li, Lingyun Li, Yan Yu, Zhong‐Zhen Luo, Zhigang Zou

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  14. Tuning birefringence in alkaline-earth metal oxyhalides through diverse mixed-cation coordination architectures

    Dalton Transactions · 2025-12-04

    Shenghong Zeng, Mayinuer Maimaiti, Jinche Wu, Tingwen Han, Hui Chai, Fangfang Zhang, Min Zhang

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  15. A Homoatomic Heteroleptic Coordination Strategy for Exceptional Infrared Linear and Nonlinear Optical Properties in ANb 2 PS 4 (S 2 ) 3 (A = K,Rb,Cs)

    Inorganic Chemistry · 2025-12-31

    Yumiao Niu, Yan Chun Xiao, Yidan Chen, Chu Chu, Daqing Yang, Ying Wang, Bingbing Zhang

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  16. Optimal three-dimensional [Ag 4 P 2 S 6 ]-framework assembly directed by a threefold roto-inversion axis for enhanced birefringence

    Inorganic Chemistry Frontiers · 2026-01-01

    MF Zhang, C Hu, Jiang‐Gao Mao

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  17. 高性能硫属化物红外非线性光学材料构效关系（特邀）

    Chinese Journal of Lasers · 2026-01-01

    张成龙 Zhang Chenglong, 王硕 Wang Shuo, Ailijiang Abudurusuli, 黄君本 Huang Junben

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  18. KHg 4 Ga 5 S 12 : A Diamond-like Tetrahedral Chalcogenide Exhibiting Giant Phase-Matching Second Harmonic Generation

    Chemistry of Materials · 2026-02-03

    Weiping Guo, Chao Yang, Bingxuan Li, Hong‐Hua Cui, Lingyun Li, Yan Yu, Zhong‐Zhen Luo, Zhigang Zou

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  19. CdY 2 Si 2 S 8 : A Wide Bandgap IR NLO Material with d 10 Metal-Induced Structure Transformation from CS to NCS

    Inorganic Chemistry · 2026-03-26

    Hongbo Zhang, Haixia Wang, Aoya He, Jiaze Sun, Jindou Hu, G. L. Li

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  20. Design of a High-Performance Infrared Nonlinear Optical Crystal via a Multiple Flexible-Group Synergistic Polarization Strategy

    Journal of the American Chemical Society · 2026-04-25

    Lihua Gao, Xuemei Shi, Jing Kong, Frederick P. Marlton, Brendan J. Kennedy, Guang Peng, Ning Ye, Jindong Chen

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  21. Achieving High‐Birefringence Thiophosphates From Low Polarizability Anisotropy Units by an Axial Linear Matching Strategy

    Advanced Optical Materials · 2026-05-18

    Ming‐Zhi Zhang, C Hu, Yi‐Wen Shan, Jiang‐Gao Mao

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  22. Mineral‐Inspired and Computation‐Assisted Rational Design of Polar Gittinsite‐Type Thiophosphates With Exceptional Nonlinear Optical Performance

    Advanced Functional Materials · 2026-08-06

    Mao‐Yin Ran, Shao-Peng Gui, Jian Cheng, Yu‐Xuan Zhang, Wen‐Dong Yao, Wenlong Liu, Sheng‐Ping Guo

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  23. AVP2S7 (A = K, Rb): Dual-Optimized Infrared Nonlinear Optical Thiophosphates via Heterovalent-Substitution-Driven Symmetry Breaking and Reinforced Interlayer Interactions

    Inorganic Chemistry · 2026-08-11

    Shao-Peng Gui, Zi-Nan Chen, Wei-Hua Yan, Yu‐Xuan Zhang, Mao‐Yin Ran, Sheng‐Ping Guo

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  24. Laporte Selection Rule Induced the Suppression of d ‐ d Transitions and Vacancies Enhanced the Second Harmonic Generation in I 4¯‐MnGa 2 S 4

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    Weiping Guo, Ya Yang, Yi Fang, Hong‐Hua Cui, Lingyun Li, Yan Yu, Zhong‐Zhen Luo, Zhigang Zou

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