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RESEARCH PAPER · Angewandte Chemie International Edition · 2024

From Cd(SCN) 2 (CH 4 N 2 S) 2 to Cd(SCN) 2 (C 4 H 6 N 2 ) 2 : Controlling Sulfur Content in Thiocyanate Systems Significantly Improves the Overall Performance of UV Nonlinear Optical Materials

Yuwei Kang, Can Yang, Jie Gou, Yaolong Zhu, Qingwen Zhu, Weilin Xu, Qi Wu

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From Cd(SCN) 2 (CH 4 N 2 S) 2 to Cd(SCN) 2 (C 4 H 6 N 2 ) 2 : Controlling Sulfur Content in Thiocyanate Systems Significantly Improves the Overall Performance of UV Nonlinear Optical MaterialsOriginalChemical modulation of A I RE III C IV QVI4 family compounds for band gap and optical anisotropy enhancement16Halide-driven polarity tuning and optimized SHG-bandgap balance in (C 4 H 11 N 2 )ZnX 3 (X = Cl, Br, I)34N 2 H 4 Zn(HC 3 N 3 O 3 ): exceptionally strong second harmonic generation and ultra-long phosphorescence16From CaBaM2F12 to K2BaM2F12 (M = Zr, Hf): Heterovalent Cation-Substitution-Induced Symmetry Break and Nonlinear-Optical Activity11Chiral Organic Cations and Distorted Inorganic Polyhedra Composing Metal Halide Nonlinear Optical Materials22(C5H12N2S)Hg(NO3)2: A Mercury Nitrate Nonlinear Optical Crystal Motivated by Heteroatom Coordination Strategy9l -Homoproline-Directed Synthesis of Organic–Inorganic Metal Iodides for Second Harmonic Generation14Toward Strong UV–Vis–NIR Second-Harmonic Generation by Dimensionality Engineering of Zinc Thiocyanates33Breaking Symmetry for SHG Response: Lanthanide Acetate Crystals via Water Molecule Regulation Strategy5Two l -Proline Cadmium Thiocyanates with Moderate Second-Harmonic-Generation Responses and Large Birefringences13Strategically designed anisotropic organic–inorganic metal halides (OIMHs) with superior balance between bandgap and birefringence13“Three functions in one”: multifunctional rare-earth cyamelurates with magnetism, luminescence, and giant optical nonlinearity6A π-conjugated organic molecule-modified strategy to achieve high-performance metal nitrate birefringent crystals9Bulk crystal growth and optical properties of a novel organic–inorganic hybrid nonlinear optical thiocyanate: [Mn(CH 3 CONH 2 ) 2 ] [Hg(SCN) 4 ]10From poor-active to high performance via heteroleptic tetrahedra engineering: rational design of non-π-conjugated hybrids for phase-matchable ultraviolet nonlinear optics12Cationic Modification in Hybrid Iodates: A Pathway to Superior Performance13Chemical Substitution‐Driven Design of a High‐Performance Noncentrosymmetric Bismuth Molybdenum Selenite10New Ways to Discover Novel Nonlinear Optical Materials: Scaling Machine Learning with Chemical Descriptors Information20Lanthanide Molecular Clusters and Metal–Organic Layers Constructed by Manipulation of Substituents4A Wide Band Gap Germanate with the Largest Second Harmonic Generation Response Created by Hypoxic Strategy22A Wide Band Gap Germanate with the Largest Second Harmonic Generation Response Created by Hypoxic Strategy6From Holodirected to Hemidirected Coordination Activated by Oxygenation Strategy: A Facile Route to Long Wave Infrared Birefringent Crystal4From Holodirected to Hemidirected Coordination Activated by Oxygenation Strategy: A Facile Route to Long Wave Infrared Birefringent Crystal29Inch‐sized K[NH2(CH2COO)2]: a High‐Performance UV Nonlinear Optical Crystal Enabled by Novel Flexible π‐Conjugated Building Units, [NH2(CH2COO)2]−13Second-Harmonic Generation in Organic–Inorganic Hybrid Cadmium Thiocyanates Containing Terminal Amino Acids22(C6H10N2)ZnX4·H2O (X=Cl and Br): Excellent nonlinear optical properties and temperature induced photoluminescence for encryption23A new selenide semiconductor NaMn3Ga3Se8 with strong second-harmonic generation and significant luminescence property5Phase-Matching Second-Harmonic Generation in Zero-Dimensional Zinc Thiocyanates Ligated with Chiral Amino Acids6Cs2CdV2O6Br2: A Mid-Infrared Nonlinear Optical Vanadate Containing Both d0/d10 Transition Metal Cations and Bromine Anions5Remarkable Disparity of Second Harmonic Generation Response in Two Inorganic–Organic Hybrid Metal Thiocyanates5Deprotonation-Regulated Conformational Switching in Malonates Enables High-Performance Ultraviolet Polar Crystals3Ag(Te2O3)(PO4): The first Ag-containing phosphate-tellurite nonlinear optical crystal featuring novel zigzag layered structure0Hydrogen-bond-driven noncentrosymmetric structure formation in π-conjugated (C3H7N6)(IO3): achieving both strong SHG response and wide bandgap5Amino Acid Modification in One-Dimensional Cadmium Thiocyanates for Enhancing Second-Harmonic Generation Response2Breaking the SHG-stability trade-off in UV nonlinear optical materials by polar-layer-dense-locking4Chiral calcium thiocyanate hybrids: amino acid-enabled structural diversity and second-harmonic generation0Optical anisotropy in Mo–Te–O frameworks constructed from distorted MoO 6 and TeO 3 units0Regulating KBBF-like structures via a charge-assisted hydrogen-bonded framework to enable easily grown ultraviolet nonlinear optical crystals0Syntheses, 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 )0[CdCl 2 (4-Aminopyridine) 2 ] n : Synergistic Enhancement of Second-Harmonic Generation and Birefringence Enabled by a π-Conjugated Ligand for UV Nonlinear Optics5Hydrogen‐Bond‐Modulated Alignment of Iminodiacetic Acid Cations for Achieving Ultraviolet Second Harmonic Generation6Zn 4 S(C 2 H 2 N 3 ) 3 (NCS) 3 : Coordination-Driven Structural Distortion Engineering Triggers Exceptional NLO Effect in Mixed-Bonding Zinc Isothiocyanate6Cd[C(NH 2 ) 2 O] 2 Cl 2 : A Urea-Based Open-Framework Crystal with Concurrent Short UV Cutoff Edge and Large Birefringence1Halogen Anion-Mediated Substitution of Nitrate: Toward Polar Materials with Intense Second-Harmonic Generation Effects3Computational Study of Superalkali-Driven Enhancement of Nonlinear Optical Activity in Carbon Nanohoops0Ce(2,2′-bipyridyl)3(SCN)3: Lanthanide Coordination- and Hydrogen-Bond-Directed Binary π-Conjugated Assemblies with Synergistic Large Birefringence and Broad Transparency0A Rare-Earth Borophosphate Ultraviolet Nonlinear Optical Crystal Featuring P–O–P Linkages0Chiral Supramolecular Templating Enables Tunable Second‐Harmonic Generation in Hybrid Zinc Thiocyanates0Coordination-Mode-Modulated Symmetry Breaking for Nonlinear Optical Crystals0Halogen‐Bond Dimensionality Controls π–π Packing to Unlock Ultrahigh Second‐Harmonic Generation and Giant Birefringence0

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  1. Chemical modulation of A I RE III C IV QVI4 family compounds for band gap and optical anisotropy enhancement

    Inorganic Chemistry Frontiers · 2024-01-01

    Hongshan Wang, Xueting Pan, Shilie Pan, Junjie Li

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  2. Halide-driven polarity tuning and optimized SHG-bandgap balance in (C 4 H 11 N 2 )ZnX 3 (X = Cl, Br, I)

    Inorganic Chemistry Frontiers · 2024-01-01

    Jin Chen, Huai-Yu Wu, Miao‐Bin Xu, Mingchang Wang, Qianqian Chen, Bingxuan Li, Chun‐Li Hu, Ke‐Zhao Du

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  3. N 2 H 4 Zn(HC 3 N 3 O 3 ): exceptionally strong second harmonic generation and ultra-long phosphorescence

    Chemical Science · 2024-01-01

    Can Hui Yang, Yuwei Kang, Xuefei Wang, Jie Gou, Yi Xiong, Zece Zhu, Ling Chen, Qi Wu

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  4. From CaBaM2F12 to K2BaM2F12 (M = Zr, Hf): Heterovalent Cation-Substitution-Induced Symmetry Break and Nonlinear-Optical Activity

    Inorganic Chemistry · 2024-06-04

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

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  5. Chiral Organic Cations and Distorted Inorganic Polyhedra Composing Metal Halide Nonlinear Optical Materials

    Laser & Photonics Review · 2024-06-05

    Kunjie Liu, Jing Wei Zhao, Quanlin Liu

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  6. (C5H12N2S)Hg(NO3)2: A Mercury Nitrate Nonlinear Optical Crystal Motivated by Heteroatom Coordination Strategy

    Inorganic Chemistry · 2024-07-31

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

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  7. l -Homoproline-Directed Synthesis of Organic–Inorganic Metal Iodides for Second Harmonic Generation

    Inorganic Chemistry · 2024-08-15

    Juan Cheng, Gangji Yi, Peiqi Qian, Jing Li, Ling Huang, Hongmei Zeng, Guohong Zou, Zhien Lin

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  8. Toward Strong UV–Vis–NIR Second-Harmonic Generation by Dimensionality Engineering of Zinc Thiocyanates

    Journal of the American Chemical Society · 2024-10-07

    Haijun Zhang, Xingxing Jiang, Yiran Zhang, Kaining Duanmu, Chao Wu, Zheshuai Lin, Jun Xu, Jinhu Yang, Zhipeng Huang, Mark Graeme Humphrey, Chi Zhang

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  9. Breaking Symmetry for SHG Response: Lanthanide Acetate Crystals via Water Molecule Regulation Strategy

    Inorganic Chemistry · 2024-10-24

    Yaolong Zhu, Yong Tao, Can Yang, Yuwei Kang, Xuefei Wang, Jie Gou, Yi Xiong, Qi Wu

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  10. Two l -Proline Cadmium Thiocyanates with Moderate Second-Harmonic-Generation Responses and Large Birefringences

    Inorganic Chemistry · 2024-11-27

    Yue Zhou, Juan Cheng, Daibing Luo, Hongmei Zeng, Ling Huang, Guohong Zou, Zhien Lin

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  11. Strategically designed anisotropic organic–inorganic metal halides (OIMHs) with superior balance between bandgap and birefringence

    Inorganic Chemistry Frontiers · 2024-12-16

    Mingchang Wang, Huaiyu Wu, Miao‐Bin Xu, Jiajia Li, Ke‐Zhao Du, Jin Chen

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  12. “Three functions in one”: multifunctional rare-earth cyamelurates with magnetism, luminescence, and giant optical nonlinearity

    Chemical Science · 2025-01-01

    Jing Zhang, Yuxiao Liu, Fangyan Wang, Pifu Gong, Zhaoyi Li, Xinyuan Zhang, Fei Liang, Shu Hai Guo, Zhanggui Hu, Yicheng Wu

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  13. A π-conjugated organic molecule-modified strategy to achieve high-performance metal nitrate birefringent crystals

    Inorganic Chemistry Frontiers · 2025-01-01

    Yi‐Lei Lv, Liang Ma, Guo-Ren Zhu, Bing-Wei Miao, Wenlong Liu, Sheng‐Ping Guo, Ru‐Ling Tang

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  14. Bulk crystal growth and optical properties of a novel organic–inorganic hybrid nonlinear optical thiocyanate: [Mn(CH 3 CONH 2 ) 2 ] [Hg(SCN) 4 ]

    Inorganic Chemistry Frontiers · 2025-01-01

    Peiqing Long, Chun‐Li Hu, Xitao Liu, Jiang‐Gao Mao

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  15. From poor-active to high performance via heteroleptic tetrahedra engineering: rational design of non-π-conjugated hybrids for phase-matchable ultraviolet nonlinear optics

    Journal of Materials Chemistry C · 2025-01-01

    Mingchang Wang, Mo-Fan Zhuo, Zhi Rong Lin, Jiajia Li, Miao‐Bin Xu, Yunxia Hu, Jia-Min Lian, Ke‐Zhao Du, Jin Chen

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  16. Cationic Modification in Hybrid Iodates: A Pathway to Superior Performance

    Inorganic Chemistry · 2025-01-03

    Jing-Jing Zhao, Shu‐Fang Li, Meng-Han Lv, Jiaxin Wang, Ru‐Ling Tang, Hongbo Huang, Bingbing Zhang, Dong Yan

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  17. Chemical Substitution‐Driven Design of a High‐Performance Noncentrosymmetric Bismuth Molybdenum Selenite

    Advanced Optical Materials · 2025-01-17

    Hieu Minh Ngo, Yunseung Kuk, Jihyun Lee, Jiachen Lu, Zhiyong Bai, Chun‐Li Hu, Kang Min Ok

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  18. New Ways to Discover Novel Nonlinear Optical Materials: Scaling Machine Learning with Chemical Descriptors Information

    Small · 2025-02-04

    Ran An, Hongshan Wang, Congwei Xie, Mengfan Wu, Dongdong Chu, Wenqi Jin, Junjie Li, Shilie Pan, Zhihua Yang

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  19. Lanthanide Molecular Clusters and Metal–Organic Layers Constructed by Manipulation of Substituents

    Inorganic Chemistry · 2025-02-05

    Yun‐Lan Li, Hai-Fang Lan, Hai‐Ling Wang, Zhong‐Hong Zhu, Lei Cheng, Hua‐Hong Zou

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  20. A Wide Band Gap Germanate with the Largest Second Harmonic Generation Response Created by Hypoxic Strategy

    Angewandte Chemie International Edition · 2025-02-11

    Qi‐Chang Song, Chun‐Li Hu, Fang Kong, Fang Kong, Jiang‐Gao Mao

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  21. A Wide Band Gap Germanate with the Largest Second Harmonic Generation Response Created by Hypoxic Strategy

    Angewandte Chemie · 2025-02-11

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  22. From Holodirected to Hemidirected Coordination Activated by Oxygenation Strategy: A Facile Route to Long Wave Infrared Birefringent Crystal

    Angewandte Chemie · 2025-02-22

    Xinyang Li, Xiyue Cheng, Chun‐Li Hu, Bingxuan Li, Zhengyang Zhou, Jian‐Han Zhang, Shuiquan Deng, Jiang‐Gao Mao, Fang Kong

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  23. From Holodirected to Hemidirected Coordination Activated by Oxygenation Strategy: A Facile Route to Long Wave Infrared Birefringent Crystal

    Angewandte Chemie International Edition · 2025-02-22

    Xin‐Yang Li, Xiyue Cheng, Chun‐Li Hu, Bingxuan Li, Zhengyang Zhou, Jian‐Han Zhang, Shuiquan Deng, Jiang‐Gao Mao, Fang Kong

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  24. Inch‐sized K[NH2(CH2COO)2]: a High‐Performance UV Nonlinear Optical Crystal Enabled by Novel Flexible π‐Conjugated Building Units, [NH2(CH2COO)2]−

    Laser & Photonics Review · 2025-03-05

    Yujie Fan, Lingli Wu, Chensheng Lin, Haotian Tian, Chao Wang, Tao Yan, Min Luo

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  25. Second-Harmonic Generation in Organic–Inorganic Hybrid Cadmium Thiocyanates Containing Terminal Amino Acids

    Inorganic Chemistry · 2025-03-06

    Yue Zhou, Gangji Yi, Qinglan Zhong, Guohong Zou, Hongmei Zeng, Zhien Lin

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  26. (C6H10N2)ZnX4·H2O (X=Cl and Br): Excellent nonlinear optical properties and temperature induced photoluminescence for encryption

    Chemical Engineering Journal · 2025-03-09

    Chuanying Shen, Chenyi Zhang, Chenyi Zhang, Qiwei Xing, Defu Sun, Kui Wu, Bingbing Zhang, Jiyang Wang, Jiyang Wang, Duanliang Wang

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  27. A new selenide semiconductor NaMn3Ga3Se8 with strong second-harmonic generation and significant luminescence property

    Chinese Journal of Structural Chemistry · 2025-03-24

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  28. Phase-Matching Second-Harmonic Generation in Zero-Dimensional Zinc Thiocyanates Ligated with Chiral Amino Acids

    Inorganic Chemistry · 2025-04-17

    Qinglan Zhong, Gangji Yi, Juan Cheng, Xin Wang, Guohong Zou, Ling Huang, Zhien Lin

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  29. Cs2CdV2O6Br2: A Mid-Infrared Nonlinear Optical Vanadate Containing Both d0/d10 Transition Metal Cations and Bromine Anions

    Inorganic Chemistry · 2025-06-30

    Lei Geng, Baozhu Zhu, You‐Zhao Lan, Chang‐Yu Meng, Qi Wu

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  30. Remarkable Disparity of Second Harmonic Generation Response in Two Inorganic–Organic Hybrid Metal Thiocyanates

    Inorganic Chemistry · 2025-09-19

    Xuemei Wen, Yue Zhou, Qinglan Zhong, Jing Li, Guohong Zou, Zhien Lin

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  31. Deprotonation-Regulated Conformational Switching in Malonates Enables High-Performance Ultraviolet Polar Crystals

    Inorganic Chemistry · 2025-10-03

    Zhengyan Lin, Huili Liu, Liling Cao, Ling Huang, Xuehua Dong, Yuqiao Zhou, Daojiang Gao, Ning Ye

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  32. 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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  33. 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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  34. Amino Acid Modification in One-Dimensional Cadmium Thiocyanates for Enhancing Second-Harmonic Generation Response

    Inorganic Chemistry · 2025-12-22

    Xuemei Wen, Yue Zhou, Caihong Guo, Guohong Zou, Zhien Lin

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  35. Breaking the SHG-stability trade-off in UV nonlinear optical materials by polar-layer-dense-locking

    Chemical Science · 2026-01-01

    Jiaqi QIAN, Yunjie Wang, Jiafu Ding, Xin Su, Qi Wu

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

    Chemical Communications · 2026-01-01

    Xuemei Wen, Yingjie Wang, Guohong Zou, Zhien Lin, Kang Min Ok

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  37. Optical anisotropy in Mo–Te–O frameworks constructed from distorted MoO 6 and TeO 3 units

    Dalton Transactions · 2026-01-01

    Cheng He, Kun Hu, Jing-Yang Zhou, Long Wu, Jian‐Han Zhang

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  38. Regulating KBBF-like structures via a charge-assisted hydrogen-bonded framework to enable easily grown ultraviolet nonlinear optical crystals

    Chemical Science · 2026-01-01

    Mingshu Zhang, Shuya Zhao, Zhen‐Cheng Wu, Yue Yin, Zheyu Zhang, Jiafeng Chen, Sheng‐Ping Guo, Yan Zhou

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  39. 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 )

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  40. [CdCl 2 (4-Aminopyridine) 2 ] n : Synergistic Enhancement of Second-Harmonic Generation and Birefringence Enabled by a π-Conjugated Ligand for UV Nonlinear Optics

    Inorganic Chemistry · 2026-01-06

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  41. Hydrogen‐Bond‐Modulated Alignment of Iminodiacetic Acid Cations for Achieving Ultraviolet Second Harmonic Generation

    Advanced Optical Materials · 2026-01-09

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  42. Zn 4 S(C 2 H 2 N 3 ) 3 (NCS) 3 : Coordination-Driven Structural Distortion Engineering Triggers Exceptional NLO Effect in Mixed-Bonding Zinc Isothiocyanate

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  43. Cd[C(NH 2 ) 2 O] 2 Cl 2 : A Urea-Based Open-Framework Crystal with Concurrent Short UV Cutoff Edge and Large Birefringence

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    Chenyuan Ma, Xin-Mei Zeng, Jia-Tong Li, Xing-Yu Bi, Zhi Gang Fang, Meihong Duan

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  44. Halogen Anion-Mediated Substitution of Nitrate: Toward Polar Materials with Intense Second-Harmonic Generation Effects

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  45. Computational Study of Superalkali-Driven Enhancement of Nonlinear Optical Activity in Carbon Nanohoops

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  46. Ce(2,2′-bipyridyl)3(SCN)3: Lanthanide Coordination- and Hydrogen-Bond-Directed Binary π-Conjugated Assemblies with Synergistic Large Birefringence and Broad Transparency

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  47. A Rare-Earth Borophosphate Ultraviolet Nonlinear Optical Crystal Featuring P–O–P Linkages

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  48. Chiral Supramolecular Templating Enables Tunable Second‐Harmonic Generation in Hybrid Zinc Thiocyanates

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

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  50. Halogen‐Bond Dimensionality Controls π–π Packing to Unlock Ultrahigh Second‐Harmonic Generation and Giant Birefringence

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