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RESEARCH PAPER · Journal of the American Chemical Society · 2025

Na[B3IO7(OH)] and Na2[B4IO9](IO3): Explorations of Boroiodates with Strong Second Harmonic Generation Response and Large Birefringence

Ya-Lan Deng, Chun‐Li Hu, Xiang Xu, Mingzhi Zhang, Jiang‐Gao Mao

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Na[B3IO7(OH)] and Na2[B4IO9](IO3): Explorations of Boroiodates with Strong Second Harmonic Generation Response and Large BirefringenceOriginalBaAlPO 4 F 2 : structure and properties of the first barium fluoroaluminophosphate with the mixed anion group [Al 2 PO 8 F 5 ]1Enhanced second-harmonic generation response in a chiral lead iodide induced by amino acid coordination8Multifactorial Directed Regulation Of the [Io 3 ] − Units in Praseodymium-Contained Iodates0π‐Conjugated Cations in Phosphates: A Pathway to Solar‐Blind UV Nonlinear Optical Crystals with Phase‐Matching32π‐Conjugated Cations in Phosphates: A Pathway to Solar‐Blind UV Nonlinear Optical Crystals with Phase‐Matching3A balance in SHG response, band gap and birefringence in a series of rare-earth sulfate-iodate6CsICl 2 : A Record-Birefringent Inorganic Crystal with Ultrawide Infrared Transparency Enabled by Linear Interhalogen ICl 2 – Units38Recent Progress in the Design and Synthesis of Nonlinear Optical Crystals with Stereochemically Active Lone Pairs8Borosilicates as deep-ultraviolet transparent nonlinear optical crystals: Structural motifs, performance limits and future directions9Multifactorial directed regulation of anionic units in praseodymium-contained iodates1Five-Membered [C 5 O 5 ] 2 – Rings as Birefringence-Active Genes for Ultrabirefringent Crystals28Organic Halogen Substitution-Driven Halogen Bonding Induces Polar 3D Supramolecular Framework and Second-Harmonic-Generation Response7Metal Chloride‐Iodate Nonlinear Optical Materials via Direct Chlorination of Centrosymmetric Metal Iodate Crystals0Ag(Te2O3)(PO4): The first Ag-containing phosphate-tellurite nonlinear optical crystal featuring novel zigzag layered structure0Unlocking Advanced UV NLO Crystals in Rare‐Earth Metal Borate Fluorides via [B 3 O 6 ]‐Mediated Structural Modulation18Hydrogen-bond-driven noncentrosymmetric structure formation in π-conjugated (C3H7N6)(IO3): achieving both strong SHG response and wide bandgap5Reactive flux assisted metal oxide–boron–sulfur routine for syntheses of CsRESiS 4 (RE = Sm, Gd–Ho): featuring nonlinear optical activity and wide band gaps5LiBa 2 GaSi 2 O 8 : A Noncentrosymmetric Silicate Exhibiting Wide Transmission Range and Moderate Second Harmonic Generation Response2KCd(IO 3 ) 2 Cl: A New UV NLO Crystal with Balanced Optical Properties Engineering via Target‐Driven Multi‐Ion Substitution Strategy7Negative linear compressibility and phonon softening in Mg ( IO 3 ) 2 under pressure1Structural Symmetry and Mixed‐anion Engineering in Halopnictides for Extraordinary Second‐Harmonic Generation6Structural Symmetry and Mixed‐anion Engineering in Halopnictides for Extraordinary Second‐Harmonic Generation4Chiral-Unit-Driven Short-Wave Ultraviolet Nonlinear Optical Acetates with Balanced Overall Optical Properties3Chiral calcium thiocyanate hybrids: amino acid-enabled structural diversity and second-harmonic generation0Halogen-ion-driven polymorphs for high-performance nonlinear optical crystalline materials3Solving the long-standing hygroscopicity and thermal stability issues of the nonlinear optical crystal α-LiIO 3 via homogeneous cation exchange0Stable lead succinate-iodides with strong second-harmonic generation response and large birefringence0Suppressing antiparallel dipole alignment: A molecular engineering strategy toward sem-organic UV NLO crystals0InO6X (X = Cl, Br): distinct functional motif family for nonlinear optical materials5Selenium-Based Molecular Cage Crystal β-P 4 Se 3 Br 2 : A Promising Candidate for Infrared Nonlinear Optical Applications1Strategic Oxygen‐Substitution in Perfluorinated Ce(IV) Coordination Frameworks Triggers Dual‐Wavelength Nonlinear Optical Materials With Exceptional Performances3Strategic Oxygen‐Substitution in Perfluorinated Ce(IV) Coordination Frameworks Triggers Dual‐Wavelength Nonlinear Optical Materials With Exceptional Performances33Topology-Guided Discovery of BaIn 2 Si 7 P 12 : A Quaternary Diamond-like Framework Phosphide with Giant Second-Harmonic Generation and High Laser-Induced Damage Threshold24[C 3 N 2 H 5 ]B 7 O 10 F 2 : Demonstrating a New Hydrogen‐Bond‐Induced Intralayer Charge‐Balanced Structure Model with Large Birefringence3Synergistic Enhancement of Birefringence in Metal Benzoxazolium Complexes by π-Conjugated [C 9 H 10 NO] + and Triangular [HgI 3 ] − Motifs3Covalent Boron–Oxygen Bond Stabilizes Anion Redox for Lithium-Rich Manganese-Based Layered Oxide Cathodes9Electronegativity Adaption Approach for Solar‐Blind UV Birefringent Crystals With Ultrawide Bandgaps2Electronegativity Adaption Approach for Solar‐Blind UV Birefringent Crystals With Ultrawide Bandgaps1Charge Compensation via Heterovalent Cation Disorder for Birefringence Modulation to Design UV Nonlinear Optical Crystal0From Coplanarity to Coaxiality: A Linearity-Oriented Design Paradigm for Ultrahigh Ultraviolet Birefringent Inorganic Crystals5Breaking Inversion Symmetry via Vanadium Coordination Engineering in Bismuth Vanadium Selenites0Heterovalent Coexistence‐Driven Symmetry Breaking and Dimensional Evolution: Designing Polar Heart‐Shaped Channels for Exceptional MFIR Nonlinear Optics5Assembly of Functional Units for Constructing an Ultraviolet-Transparent Nonlinear Optical Mixed Alkaline Metal Borate-Formate1LiMn(IO 3 ) 3 : A Noncentrosymmetric Iodate Synthesized by Polyhedral Volume Ratio Modulation0Bio-inspired proton-conformation-coupled hydrogen-bond network reconfiguration for adaptive optical anisotropy0Metal–organic framework-based second-order nonlinear optical materials: From structural design to functional applications0Hydrogen-Bond-Directed Assembly of Polyanionic Cluster [Mo 2 O 5 (IO 3 ) 4 ] 2– for Nonlinear Optical Crystal Design0CaM 3 Si 4 P 11 (M = Al, Ga): [P 2 ] Motifs‐Modified Quasi‐T 3 Supertetrahedra Drive Superior Infrared Nonlinear Optical Performances1Fluorine‐Driven Chemical Scissor Effect in Scandium Borates: Structural Evolution with Retained Optically Active Motifs0Coordination-Mode-Modulated Symmetry Breaking for Nonlinear Optical Crystals0A Pyrazinamide–Iodic Acid Cocrystal Exhibiting Strong Second Harmonic Generation for Nonlinear Optics0AlGaS3: a wide band gap ternary diamond-like infrared nonlinear optical material with high laser-induced damage threshold1Unlocking Hidden Potential via Reprogrammed Mineral Structures: How Anionic Transformation Achieves Ultraviolet Nonlinear Optical Performance0Cation‐Regulated [CH 3 BO 2 F]‐Derived Borates: Synergistic Fluorination and Organic Functionalization for High‐Birefringence UV NLO Materials0Coordination-Site Engineering Enables Synergistic π-Coupling in Peroxomolybdates0

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  1. BaAlPO 4 F 2 : structure and properties of the first barium fluoroaluminophosphate with the mixed anion group [Al 2 PO 8 F 5 ]

    Dalton Transactions · 2025-01-01

    Yanhui Zhang, Jiajia Li, Yaqing Ding, Kaitong Liu, Xiaofeng Gu

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  2. Enhanced second-harmonic generation response in a chiral lead iodide induced by amino acid coordination

    Chemical Communications · 2025-01-01

    Juan Cheng, Gangji Yi, Qinglan Zhong, Ling Huang, Hongmei Zeng, Guohong Zou, Zhien Lin

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  3. Multifactorial Directed Regulation Of the [Io 3 ] − Units in Praseodymium-Contained Iodates

    SSRN Electronic Journal · 2025-01-01

    Ping Wang, Zhengli Liang, Zhenhua Li, Quanjie Yang, Lehui Liu, Xingxing Jiang, Zheshuai Lin, Hongming Liu

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  4. π‐Conjugated Cations in Phosphates: A Pathway to Solar‐Blind UV Nonlinear Optical Crystals with Phase‐Matching

    Angewandte Chemie International Edition · 2025-06-06

    Guangsheng Xu, Xue Bai, Zhihua Yang, Jian Wei Han, Shilie Pan

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  5. π‐Conjugated Cations in Phosphates: A Pathway to Solar‐Blind UV Nonlinear Optical Crystals with Phase‐Matching

    Angewandte Chemie · 2025-06-06

    Guangsheng Xu, Xue Bai, Zhihua Yang, Jian Wei Han, Shilie Pan

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  6. A balance in SHG response, band gap and birefringence in a series of rare-earth sulfate-iodate

    Journal of Molecular Structure · 2025-07-01

    Chunxiang Wu, Y. X. Li, Zhengli Liang, Xiao Mei Jiang, Xiao Jiang, Hui Fang, Lixiang Qin, Xingyuan Bai, Lehui Liu, Lehui Liu, Xingxing Jiang, Xingxing Jiang, Hongming Liu, Hongming Liu

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  7. CsICl 2 : A Record-Birefringent Inorganic Crystal with Ultrawide Infrared Transparency Enabled by Linear Interhalogen ICl 2 – Units

    Journal of the American Chemical Society · 2025-07-21

    Chong‐An Chen, Yang Li, Congcong Jin, Kang Min Ok

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  8. Recent Progress in the Design and Synthesis of Nonlinear Optical Crystals with Stereochemically Active Lone Pairs

    European Journal of Inorganic Chemistry · 2025-08-26

    Xuehua Dong, Ling Huang, Guohong Zou

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  9. Borosilicates as deep-ultraviolet transparent nonlinear optical crystals: Structural motifs, performance limits and future directions

    Chinese Journal of Structural Chemistry · 2025-09-01

    Yangfeifei Ou, Xiaoliang Zhou, You‐Zhao Lan, Jian‐Wen Cheng

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  10. Multifactorial directed regulation of anionic units in praseodymium-contained iodates

    Journal of Molecular Structure · 2025-09-01

    Ping Wang, Zhengli Liang, Zhenhua Li, Quanjie Yang, Lehui Liu, Lehui Liu, Xingxing Jiang, Hongming Liu, Hongming Liu

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  11. Five-Membered [C 5 O 5 ] 2 – Rings as Birefringence-Active Genes for Ultrabirefringent Crystals

    Journal of the American Chemical Society · 2025-09-16

    Jiachen Lu, Yang Li, Kang Min Ok

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  12. Organic Halogen Substitution-Driven Halogen Bonding Induces Polar 3D Supramolecular Framework and Second-Harmonic-Generation Response

    Inorganic Chemistry · 2025-09-17

    Mingchang Wang, Jiajia Li, Yan Chen, Ke‐Zhao Du, Jin Chen

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  13. Metal Chloride‐Iodate Nonlinear Optical Materials via Direct Chlorination of Centrosymmetric Metal Iodate Crystals

    Chemistry - A European Journal · 2025-10-09

    Ying‐Jie Jia, Yi-Gang Chen, Bingbing Zhang, Yao Guo, Xian‐Ming Zhang

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  14. Ag(Te2O3)(PO4): The first Ag-containing phosphate-tellurite nonlinear optical crystal featuring novel zigzag layered structure

    Chinese Journal of Structural Chemistry · 2025-10-10

    Piao Tang, Xin Wen, Jindong Chen, Ning Ye, Guang Peng

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  15. Unlocking Advanced UV NLO Crystals in Rare‐Earth Metal Borate Fluorides via [B 3 O 6 ]‐Mediated Structural Modulation

    Advanced Functional Materials · 2025-10-17

    Qianzhen Zhang, Ran An, Abudukadi Tudi, Jiongquan Chen, Xiaoqin Ma, Xifa Long, Zhihua Yang, Shilie Pan, Yun Mo Yang

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  16. Hydrogen-bond-driven noncentrosymmetric structure formation in π-conjugated (C3H7N6)(IO3): achieving both strong SHG response and wide bandgap

    Science China Chemistry · 2025-10-21

    Yu-Wei Kang, Chun‐Li Hu, Jiang‐Gao Mao

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  17. Reactive flux assisted metal oxide–boron–sulfur routine for syntheses of CsRESiS 4 (RE = Sm, Gd–Ho): featuring nonlinear optical activity and wide band gaps

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    Zhen-Cheng Wu, Fang-Xu Tian, Rui Xiao, Mao-Yin Ran, Wenlong Liu, Wen-Tong Chen, Sheng-Ping Guo

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  18. LiBa 2 GaSi 2 O 8 : A Noncentrosymmetric Silicate Exhibiting Wide Transmission Range and Moderate Second Harmonic Generation Response

    Inorganic Chemistry · 2025-12-11

    Mingyue Gu, Hu Liu, Xianchao Zhu, Zhanggui Hu, Jiyang Wang, Yicheng Wu

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  19. KCd(IO 3 ) 2 Cl: A New UV NLO Crystal with Balanced Optical Properties Engineering via Target‐Driven Multi‐Ion Substitution Strategy

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  20. Negative linear compressibility and phonon softening in Mg ( IO 3 ) 2 under pressure

    Physical review. B./Physical review. B · 2025-12-16

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  21. Structural Symmetry and Mixed‐anion Engineering in Halopnictides for Extraordinary Second‐Harmonic Generation

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  22. Structural Symmetry and Mixed‐anion Engineering in Halopnictides for Extraordinary Second‐Harmonic Generation

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  23. Chiral-Unit-Driven Short-Wave Ultraviolet Nonlinear Optical Acetates with Balanced Overall Optical Properties

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  24. Chiral calcium thiocyanate hybrids: amino acid-enabled structural diversity and second-harmonic generation

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  25. Halogen-ion-driven polymorphs for high-performance nonlinear optical crystalline materials

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  26. Solving the long-standing hygroscopicity and thermal stability issues of the nonlinear optical crystal α-LiIO 3 via homogeneous cation exchange

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  27. Stable lead succinate-iodides with strong second-harmonic generation response and large birefringence

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  28. Suppressing antiparallel dipole alignment: A molecular engineering strategy toward sem-organic UV NLO crystals

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  29. InO6X (X = Cl, Br): distinct functional motif family for nonlinear optical materials

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  30. Selenium-Based Molecular Cage Crystal β-P 4 Se 3 Br 2 : A Promising Candidate for Infrared Nonlinear Optical Applications

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  31. Strategic Oxygen‐Substitution in Perfluorinated Ce(IV) Coordination Frameworks Triggers Dual‐Wavelength Nonlinear Optical Materials With Exceptional Performances

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  32. Strategic Oxygen‐Substitution in Perfluorinated Ce(IV) Coordination Frameworks Triggers Dual‐Wavelength Nonlinear Optical Materials With Exceptional Performances

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  33. Topology-Guided Discovery of BaIn 2 Si 7 P 12 : A Quaternary Diamond-like Framework Phosphide with Giant Second-Harmonic Generation and High Laser-Induced Damage Threshold

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  34. [C 3 N 2 H 5 ]B 7 O 10 F 2 : Demonstrating a New Hydrogen‐Bond‐Induced Intralayer Charge‐Balanced Structure Model with Large Birefringence

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  35. Synergistic Enhancement of Birefringence in Metal Benzoxazolium Complexes by π-Conjugated [C 9 H 10 NO] + and Triangular [HgI 3 ] − Motifs

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  36. Covalent Boron–Oxygen Bond Stabilizes Anion Redox for Lithium-Rich Manganese-Based Layered Oxide Cathodes

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  37. Electronegativity Adaption Approach for Solar‐Blind UV Birefringent Crystals With Ultrawide Bandgaps

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  38. Electronegativity Adaption Approach for Solar‐Blind UV Birefringent Crystals With Ultrawide Bandgaps

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  39. Charge Compensation via Heterovalent Cation Disorder for Birefringence Modulation to Design UV Nonlinear Optical Crystal

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  40. From Coplanarity to Coaxiality: A Linearity-Oriented Design Paradigm for Ultrahigh Ultraviolet Birefringent Inorganic Crystals

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  41. Breaking Inversion Symmetry via Vanadium Coordination Engineering in Bismuth Vanadium Selenites

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  42. Heterovalent Coexistence‐Driven Symmetry Breaking and Dimensional Evolution: Designing Polar Heart‐Shaped Channels for Exceptional MFIR Nonlinear Optics

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  43. Assembly of Functional Units for Constructing an Ultraviolet-Transparent Nonlinear Optical Mixed Alkaline Metal Borate-Formate

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  44. LiMn(IO 3 ) 3 : A Noncentrosymmetric Iodate Synthesized by Polyhedral Volume Ratio Modulation

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  45. Bio-inspired proton-conformation-coupled hydrogen-bond network reconfiguration for adaptive optical anisotropy

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  46. Metal–organic framework-based second-order nonlinear optical materials: From structural design to functional applications

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  47. Hydrogen-Bond-Directed Assembly of Polyanionic Cluster [Mo 2 O 5 (IO 3 ) 4 ] 2– for Nonlinear Optical Crystal Design

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  48. CaM 3 Si 4 P 11 (M = Al, Ga): [P 2 ] Motifs‐Modified Quasi‐T 3 Supertetrahedra Drive Superior Infrared Nonlinear Optical Performances

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  49. Fluorine‐Driven Chemical Scissor Effect in Scandium Borates: Structural Evolution with Retained Optically Active Motifs

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  50. Coordination-Mode-Modulated Symmetry Breaking for Nonlinear Optical Crystals

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