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RESEARCH PAPER · Inorganic Chemistry · 2022

Sb5O7I: Exploration of Ternary Antimony-Based Oxyhalide as a Nonlinear-Optical Material

Mei Yang, Wenlong Liu, Sheng‐Ping Guo

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Sb5O7I: Exploration of Ternary Antimony-Based Oxyhalide as a Nonlinear-Optical MaterialOriginalFrom Ba3Nb2O2F12(H2O)2 to Ba0.5NbO2F2(H2O): Achieving Balanced Nonlinear Optical Performance by O/F Ratio Regulation18From Cs8Sb4Nb5O5F35 to Cs6Sb4Mo3O5F26: The first noncentrosymmetric fluoroantimonite with d0 transition metal30Hg 3 O 2 (NO 3 )F: a mercury nitrate oxyfluoride with an unprecedented [(Hg 3 O 2 F) + ] ∞ cationic framework and excellent optical anisotropy21Synthesis, structure and characterization of Cd 2 TeO 3 Cl 2 with unprecedented [Cd 2 O 6 Cl 4 ] octahedral dimers5A Rare‐Earth Selenite with Unexpectedly Well‐Balanced Ultraviolet Nonlinear Optical Functionality, Sc(HSeO 3 ) 331Na2Mg2P2O7F2: A new diphosphate of the cuspidine family without disorder designed by targeted structural modulation1ASn(C10H12N2O8)Cl·H2O (A = K, Rb): Nonlinear optical crystals with new distorted Sn(IV)-centered nitrogen-oxygen-chloride polyhedron and wide band gaps6Highly Birefringent d 0 Transition Metal Fluoroantimonite in the Mid Infrared Band: Order–Disorder Regulation by Cationic Size83C(NH2)3Cd(C2O4)Cl(H2O)·H2O and BaCd(C2O4)1.5Cl(H2O)2: Two Oxalate Chlorides Obtained by Chemical Scissors Strategy Exhibiting Low-Dimensional Structural Networks and Balanced Overall Optical Properties14[(C 5 H 6 N 2 ) 2 H](Sb 4 F 13 ): a polyfluoroantimonite with a strong second harmonic generation effect60Novel ternary Zintl phosphide halides Ba 3 P 5 X (X = Cl, Br) with 1D helical phosphorus chains: synthesis, crystal and electronic structure11Sb4O5I2: Enhancing Birefringence through Optimization of Sb/I Ratio for Alignment of Stereochemically Active Lone Pairs18The Spin–Orbit Effect on the Electronic Structures, Refractive Indices, and Birefringence of X2PO4I (X = Pb, Sn, Ba and Sr): A First-Principles Investigation6MgHg(SeO3)2(H2O)2: A magnesium mercury selenite with large birefringence6Theoretical insight on structure, electronic, and optical properties of two d 0–d 10 electron transition-metal oxyhalides SHG materials2First-principles study of three isomers of the large birefringent crystal Sb4O4F4: electronic structure and optical properties0Tin chalcohalide Sn 11 (PS 4 ) 4 I 10 obtained from structural-template-oriented synthesis: exhibiting balanced infrared nonlinear optical performance6Emergent Mid‐Infrared Nonlinear Optical Candidates With Targeted Balance Performances17Halogen-Driven Structural Engineering in Tellurium Oxyhalides: Enhanced SHG Response and Broad Optical Transparency6A Co(II)-Organic Coordination Polymer and Its Hydroxyl Multiwalled Carbon Nanotube Composite Incorporating 2-Iodo-4-sulfobenzoate Exhibiting Dual Electrochemical Sensing Performance for NO 2 – and Fe 3+11[Pb(ptz)(OH)(H2O)]: A Hybrid Nonlinear Optical Crystal with Large Birefringence0Synthesis and optical properties of D-π-A-type benzimidazole compounds0Syntheses, structures and optical properties of two new cadmium antimonites: Cs 4 Cd(SbF 5 ) 3 (H 2 O) 2 and Cd[Sb 7 O 10 (OH)](SO 4 )0High‐Performance Infrared Nonlinear Optical Crystals Discovery Guided by High‐Throughput Computation, Machine Learning, and Experimental Verification6High‐Performance Infrared Nonlinear Optical Crystals Discovery Guided by High‐Throughput Computation, Machine Learning, and Experimental Verification2Synthesis, Crystal Structures, Spectroscopic and Thermal Characterization of Monosubstituted Lead Acetates Pb(XCH2COO)2 (X = Cl, Br, I, OH)0Coordination chemistry of Sb(III)-based optical crystals: from lone-pair-induced distortion to birefringence and second-harmonic generation0

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  1. From Ba3Nb2O2F12(H2O)2 to Ba0.5NbO2F2(H2O): Achieving Balanced Nonlinear Optical Performance by O/F Ratio Regulation

    Inorganic Chemistry · 2022-12-07

    Mei Yan, Ru‐Ling Tang, Wenlong Liu, Sheng‐Ping Guo

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  2. From Cs8Sb4Nb5O5F35 to Cs6Sb4Mo3O5F26: The first noncentrosymmetric fluoroantimonite with d0 transition metal

    Chinese Journal of Structural Chemistry · 2023-01-01

    Jia-Hang Wu, Bo Zhang, Ting-Kun Jiang, Fang Kong, Jiang‐Gao Mao

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  3. Hg 3 O 2 (NO 3 )F: a mercury nitrate oxyfluoride with an unprecedented [(Hg 3 O 2 F) + ] ∞ cationic framework and excellent optical anisotropy

    Inorganic Chemistry Frontiers · 2023-01-01

    Yi‐Lei Lv, Lei Huai, Yu-Long Wei, Liang Ma, Yue‐Qi Wei, Wenlong Liu, Ru‐Ling Tang

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  4. Synthesis, structure and characterization of Cd 2 TeO 3 Cl 2 with unprecedented [Cd 2 O 6 Cl 4 ] octahedral dimers

    Dalton Transactions · 2023-01-01

    Linan Wang, Chen Bai, Yingying Kong, Maqsood Iqbal, Yu Chu, Junjie Li

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  5. A Rare‐Earth Selenite with Unexpectedly Well‐Balanced Ultraviolet Nonlinear Optical Functionality, Sc(HSeO 3 ) 3

    Small · 2023-02-09

    Zhiyong Bai, Jihyun Lee, Heewon Kim, Yunseung Kuk, Myung‐Ho Choi, Chun‐Li Hu, Kang Min Ok

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  6. Na2Mg2P2O7F2: A new diphosphate of the cuspidine family without disorder designed by targeted structural modulation

    Inorganica Chimica Acta · 2023-06-07

    Yanhui Zhang, Yun Mo Yang, Xifa Long, Hualing Tian, Xiaofeng Gu, Zhi Guo Su

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  7. ASn(C10H12N2O8)Cl·H2O (A = K, Rb): Nonlinear optical crystals with new distorted Sn(IV)-centered nitrogen-oxygen-chloride polyhedron and wide band gaps

    Scripta Materialia · 2023-08-30

    Ya-Hui Zhu, Zilong Geng, Hong‐Xin Tang, Ruibiao Fu, Zuju Ma, Xin‐Tao Wu

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  8. Highly Birefringent d 0 Transition Metal Fluoroantimonite in the Mid Infrared Band: Order–Disorder Regulation by Cationic Size

    Journal of the American Chemical Society · 2023-10-26

    Jia-Hang Wu, Chun‐Li Hu, Ting-Kun Jiang, Jiang‐Gao Mao, Fang Kong

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  9. C(NH2)3Cd(C2O4)Cl(H2O)·H2O and BaCd(C2O4)1.5Cl(H2O)2: Two Oxalate Chlorides Obtained by Chemical Scissors Strategy Exhibiting Low-Dimensional Structural Networks and Balanced Overall Optical Properties

    Inorganic Chemistry · 2023-12-19

    Wei Xu, Liang Ma, Yi‐Lei Lv, Siyu Ma, Wenlong Liu, Sheng‐Ping Guo, Ru‐Ling Tang

    Read original paper ↗ ·

  10. [(C 5 H 6 N 2 ) 2 H](Sb 4 F 13 ): a polyfluoroantimonite with a strong second harmonic generation effect

    Chemical Science · 2024-01-01

    Jia-Hang Wu, Chun‐Li Hu, Yafeng Li, Jiang‐Gao Mao, Fang Kong

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  11. Novel ternary Zintl phosphide halides Ba 3 P 5 X (X = Cl, Br) with 1D helical phosphorus chains: synthesis, crystal and electronic structure

    Nanoscale · 2024-01-01

    Mohd Ishtiyak, S. M. Gayomi K. Samarakoon, Thimira Kandabadage, Spencer R. Watts, Sviatoslav Baranets

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  12. Sb4O5I2: Enhancing Birefringence through Optimization of Sb/I Ratio for Alignment of Stereochemically Active Lone Pairs

    Inorganic Chemistry · 2024-01-11

    Jingyu Guo, Xiangtong Zhan, Jiating Lan, Xin Liu, Shuang Zhao, Xi Xu, Li‐Ming Wu, Ling Chen

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  13. The Spin–Orbit Effect on the Electronic Structures, Refractive Indices, and Birefringence of X2PO4I (X = Pb, Sn, Ba and Sr): A First-Principles Investigation

    Nanomaterials · 2024-04-01

    Xudong Leng, Mei Hu, Qun Jing, Haiming Duan, Henglei Chen, Xiuhua Cui

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  14. MgHg(SeO3)2(H2O)2: A magnesium mercury selenite with large birefringence

    Journal of Solid State Chemistry · 2024-05-12

    Yueling Sun, Lei Huai, An-Hua Gong

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  15. Theoretical insight on structure, electronic, and optical properties of two d 0–d 10 electron transition-metal oxyhalides SHG materials

    Journal of Physics D Applied Physics · 2024-06-12

    Jinyu Hu, Jiamei Zhang, Huiyan Zhao, Chao He, Xihu Wang

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  16. First-principles study of three isomers of the large birefringent crystal Sb4O4F4: electronic structure and optical properties

    Physica Scripta · 2024-10-24

    Hongheng Chen, Mei Hu, Jialong Wang, Haiming Duan, Qun Jing, Zhaohui Chen

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  17. 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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  18. Emergent Mid‐Infrared Nonlinear Optical Candidates With Targeted Balance Performances

    Small · 2024-12-23

    Junben Huang, Ailijiang Abudurusuli, Zhihua Yang, Shilie Pan

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  19. Halogen-Driven Structural Engineering in Tellurium Oxyhalides: Enhanced SHG Response and Broad Optical Transparency

    Inorganic Chemistry · 2025-04-21

    Gen Li, Wei Zeng, Gangji Yi, Xuan Zou, Xize Zhan, Hongmei Zeng, Zhien Lin, Guohong Zou

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  20. A Co(II)-Organic Coordination Polymer and Its Hydroxyl Multiwalled Carbon Nanotube Composite Incorporating 2-Iodo-4-sulfobenzoate Exhibiting Dual Electrochemical Sensing Performance for NO 2 – and Fe 3+

    Inorganic Chemistry · 2025-05-19

    Qi Wang, Yuan‐Wen Yang, Ting Guo, Jia Chen, Kou‐Lin Zhang

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  21. [Pb(ptz)(OH)(H2O)]: A Hybrid Nonlinear Optical Crystal with Large Birefringence

    Inorganic Chemistry · 2025-10-09

    De-Xuan Jiang, Yuhang Wang, Yuxiao Wang, Ling Gao, Song‐De Han, Qi Wei, Li Wei, Guo‐Yu Yang

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  22. Synthesis and optical properties of D-π-A-type benzimidazole compounds

    Chemical Physics Letters · 2025-10-19

    Ran Yao, Jianrui Jiang, Mingyan Li, Jiahui Chu, Endian Su, Tianzheng Ding, Hui Zhang, Lina Shi, Yunfang Yang, Jianhong Jia

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  23. Syntheses, structures and optical properties of two new cadmium antimonites: Cs 4 Cd(SbF 5 ) 3 (H 2 O) 2 and Cd[Sb 7 O 10 (OH)](SO 4 )

    Dalton Transactions · 2026-01-01

    Yi Yuan, Chun‐Li Hu, Dan-Dan Zhou, Jiang‐Gao Mao, Fang Kong

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  24. High‐Performance Infrared Nonlinear Optical Crystals Discovery Guided by High‐Throughput Computation, Machine Learning, and Experimental Verification

    Angewandte Chemie International Edition · 2026-04-24

    Yan Xiao, Zhaoxi Yu, Yumiao Niu, Yidan Chen, Lin Shen, Daqing Yang, Ying Wang, Bingbing Zhang

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  25. High‐Performance Infrared Nonlinear Optical Crystals Discovery Guided by High‐Throughput Computation, Machine Learning, and Experimental Verification

    Angewandte Chemie · 2026-04-24

    Yan Xiao, Zhaoxi Yu, Yumiao Niu, Yidan Chen, Lin Shen, Daqing Yang, Ying Wang, Bingbing Zhang

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  26. Synthesis, Crystal Structures, Spectroscopic and Thermal Characterization of Monosubstituted Lead Acetates Pb(XCH2COO)2 (X = Cl, Br, I, OH)

    Journal of Structural Chemistry · 2026-07-01

    V. E. Kireev, D. O. Charkin, D.S. Degterev, O.S. Smulskaya, A. N. Gosteva, Kompanchenko A.A., A. M. Banaru, Sergey M. Aksenov

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  27. Coordination chemistry of Sb(III)-based optical crystals: from lone-pair-induced distortion to birefringence and second-harmonic generation

    Coordination Chemistry Reviews · 2026-10-06

    Liyi Zhang, Pei Liu, Liling Cao, Ling Huang, Xuehua Dong, Guohong Zou

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