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RESEARCH PAPER · European Journal of Inorganic Chemistry · 2019

Cs3Na(H2C3N3O3)4·3H2O: A Mixed Alkali‐Metal Hydroisocyanurate Nonlinear Optical Material Containing π‐Conjugated Six‐Membered‐Ring Units

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Cs3Na(H2C3N3O3)4·3H2O: A Mixed Alkali‐Metal Hydroisocyanurate Nonlinear Optical Material Containing π‐Conjugated Six‐Membered‐Ring UnitsOriginal“Two in one”: an unprecedented mixed anion, Ba 2 (C 3 N 3 O 3 )(CNO), with the coexistence of isolated sp and sp 2 π-conjugated groups15A rich structural chemistry in π-conjugated hydroisocyanurates: layered structures of A 2 B(H 2 C 3 N 3 O 3 ) 4 · n H 2 O (A = K, Rb, Cs; B = Mg, Ca; n = 4, 10) with high ultraviolet transparency and strong optical anisotropy47Co-crystal LiCl·(H 3 C 3 N 3 O 3 ): a promising solar-blind nonlinear optical crystal with giant nonlinearity from coplanar π-conjugated groups78Intrinsic zero thermal expansion in cube cyanurate K 6 Cd 3 (C 3 N 3 O 3 ) 423LiO 4 tetrahedra lock the alignment of π-conjugated layers to maximize optical anisotropy in metal hydroisocyanurates44RE(H 2 C 3 N 3 O 3 ) 2 ·(OH)· x H 2 O (RE = La, Y and Gd): potential UV birefringent materials with strong optical anisotropy originating from the (H 2 C 3 N 3 O 3 ) − group31Parallel Alignment of π-Conjugated Anions in Hydroisocyanurates Enhancing Optical Anisotropy25Ba2M(C3N3O3)2 (M = Sr, Pb): Band Engineering from p−π Interaction via Homovalent Substitution in Metal Cyanurates Containing Planar π-Conjugated Groups39Facile Growth of an Ultraviolet Hydroisocyanurate Crystal with Strong Nonlinearity and a Wide Phase-Matching Region from π-Conjugated (HC3N3O3)2– Groups45RbNa(HC 3 N 3 O 3 )·2H 2 O exhibiting a strong second harmonic generation response and large birefringence as a new potential UV nonlinear optical material69“Old dog, new tricks”: the lone pair effect inducing divergent optical responses in lead cyanurates containing π-bonds18Rb3Na(H2C3N3O3)4·3H2O with Large Birefringence28Structural Diversity and Giant Birefringence in Cyanates BaCNOX (X = Cl, Br, I, and CNO) Containing Linear π-Conjugated Units: A Combined Experimental and Theoretical Study132(C 3 H 7 N 6 ) + ·2Cl − ·H 2 O: an ultraviolet nonlinear optical crystal with large birefrigence and strong second-harmonic generation78Hydroisocyanurates X 2 Y(H 2 C 3 N 3 O 3 ) 4 ·4H 2 O (X = K, Cs; Y = Zn, Cd) with large birefringence stemming from π-conjugated (H 2 C 3 N 3 O 3 ) − anions28Inorganic planar π-conjugated groups in nonlinear optical crystals: review and outlook145K 4 Cu 3 (C 3 N 3 O 3 ) 2 X (X = Cl, Br): strong anisotropic layered semiconductors containing mixed p–p and d–p conjugated π-bonds7Optimal arrangement of π-conjugated anionic groups in hydro-isocyanurates leads to large optical anisotropy and second-harmonic generation effect42Second-order nonlinear optical materials with a benzene-like conjugated π system49An Exceptional Peroxide Birefringent Material Resulting from d–π Interactions99An Exceptional Peroxide Birefringent Material Resulting from d–π Interactions15A(H3C3N3O3)(NO3) (A = K, Rb): Alkali-Metal Nitrate Isocyanurates with Strong Optical Anisotropy47An Optimal Arrangement of (H2C4N2O3)2– Groups in the First Non-Centrosymmetric Alkali Barbiturate Li2(H2C4N2O3)·2H2O Inducing a Giant Second Harmonic Generation Response and a Striking Birefringence43A UV birefringent crystal: RbNH4(H2C3N3O3)2·2H2O14Mechanochemical Synthesis of an Ionic Cocrystal with Large Birefringence Resulting from Neutral Planar π-Conjugated Groups26Co-crystal AX·(H 3 C 3 N 3 O 3 ) (A = Na, Rb, Cs; X = Br, I): a series of strongly anisotropic alkali halide cyanurates with a planar structural motif and large birefringence13K 2 Pb(H 2 C 3 N 3 O 3 ) 4 (H 2 O) 4 : a potential UV nonlinear optical material with large birefringence50Zn(H 2 C 3 N 3 O 3 ) 2 ·3H 2 O: the first single- d 10 transition metal based ultraviolet hydroisocyanurate crystal with large birefringence18The First Positive Uniaxial Cyanurate Crystals Containing a Crown-like Anionic Group Arrangement and Strengthened Optical Anisotropy17Cyanurates consisting of intrinsic planar π-conjugated 6-membered rings: An emerging source of optical functional materials111From Centrosymmetry to Noncentrosymmetry: Tailoring the Structural Arrangements of Carbonates with Strong Nonlinear Optical Response through Partial Anion Substitution33Structure-performance relationship in tri-coordinated nonlinear optical materials toward optimal second harmonic generation and phase matching31AZn4(OH)4(C3N3O3)2 (A = Mg, Zn): Two Zn-Based Cyanurate Crystals with Various Cation Coordination and Large Birefringence22Synthesis and Characterization of New-Type Ionic Cocrystals with Cyanuric Acid and Alkali Halides: AX·(H3C3N3O3)2 (A = Rb, Cs; X = Cl, Br)6A flexible functional module to regulate ultraviolet optical nonlinearity for achieving a balance between a second-harmonic generation response and birefringence43From Pb(H 2 C 3 N 3 O 3 )(OH) to Pb(H 2 C 3 N 3 O 3 )F: Homovalent Anion Substitution-Induced Band Gap Enlargement and Birefringence Enhancement26Driving Nonlinear Optical Activity with Dipolar 2-Aminopyrimidinium Cations in (C4H6N3)+(H2PO3)−115Crystal Growth and Physical Properties of the Nonlinear Optical Crystal KLi(HC3N3O3)·2H2O15Directional Construction of New Nonlinear Optical Bifunctional Units through Molecular Engineering Design Inspired by the B 3 O 7 -Typed Configuration23Perfectly Encoding π‐Conjugated Anions in the RE5(C3N3O3)(OH)12 (RE=Y, Yb, Lu) Family with Strong Second Harmonic Generation Response and Balanced Birefringence91Perfectly Encoding π‐Conjugated Anions in the RE5(C3N3O3)(OH)12 (RE=Y, Yb, Lu) Family with Strong Second Harmonic Generation Response and Balanced Birefringence18K 3 C 6 N 7 O 3 ·2H 2 O: A Multifunctional Nonlinear Optical Cyamelurate Crystal with Colossal π-Conjugated Orbitals44Explorations of Second-Order Nonlinear Optical Materials in the Monovalent Trithiocyanurate System18Compounds consisting of coplanar π-conjugated B3O6-typed structures: An emerging source of ultraviolet nonlinear optical materials20C14H10BrNO2: A Birefringent Crystal with an Expanded π-Conjugated Group13NaCl·CH4N2O·H2O: An Organic–Inorganic Hybrid Ultraviolet Nonlinear Optical Crystal with Optimized Comprehensive Properties8α- and β-(C4H5N2O)(IO3)·HIO3: Two SHG Materials Based on Organic–Inorganic Hybrid Iodates14Mg(C 3 O 4 H 2 )(H 2 O) 2 : A New Ultraviolet Nonlinear Optical Material Derived from KBe 2 BO 3 F 2 with High Performance and Excellent Water‐Resistance7Mg(C3O4H2)(H2O)2: A New Ultraviolet Nonlinear Optical Material Derived from KBe2BO3F2 with High Performance and Excellent Water‐Resistance43Alkali-metal isocyanurate Cs 3 (H 2 C 3 N 3 O 3 ) 3 (H 3 C 3 N 3 O 3 )·3H 2 O: synthesis and characterization0N 2 H 4 Zn(HC 3 N 3 O 3 ): exceptionally strong second harmonic generation and ultra-long phosphorescence16Recent advances in rational structure design for nonlinear optical crystals: leveraging advantageous templates153Rational Combination of π‐Conjugated and Non‐π‐Conjugated Groups Achieving Strong Nonlinear Optical Response, Large Optical Anisotropy, and UV Light‐Switchable Fluorescence65(C 8 H 7 N 2 O 2 ) 2 [Bi 2 Br 8 ]·2H 2 O and (C 8 H 7 N 2 O 2 ) 6 [Bi 2 Cl 10 ]Cl 2 ·2H 2 O: Exploring Birefringent Crystals in Hybrid Halide Systems5Two Mixed Alkali Metal Isocyanurates with Wide Band Gap and Giant Birefringence2[C8H6BrN2O]Cl and [C8H6IN2O]Cl: Two birefringent crystals with π-conjugated quinazoline groups2Nonlinear optical cyanurate crystals15Unveiling Noncentrosymmetric Pyridine Carboxylates from Centrosymmetric Templates through Motif Configuration Modulation in Zero-Dimensional System7Chiral-driven formation of hybrid cyanurates with large birefringence2“Three functions in one”: multifunctional rare-earth cyamelurates with magnetism, luminescence, and giant optical nonlinearity6An alkali and rare earth metal mixed cyanurate KLa2(C3N3O3)2Cl with large birefringence: Synthesis and characterization2A one-pot method in water to synthesize a new cyanurate K(H 2 C 3 N 3 O 3 )·H 2 O with large birefringence2The condensation of π-conjugated units: a new paradigm for designing high-performance optical crystals4Unit Symmetry‐Breaking and Layered Linear Ordering Enabling Superior Short‐Wave Ultraviolet Birefringent Crystal8Unit Symmetry‐Breaking and Layered Linear Ordering Enabling Superior Short‐Wave Ultraviolet Birefringent Crystal2The Achievement of a Strong Second Harmonic Generation Response and a Large Birefringence in Sulfates4The Multi‐Scale Paradigm: An Integrated Design Logic for Nonlinear Optical Crystals1The Multi‐Scale Paradigm: An Integrated Design Logic for Nonlinear Optical Crystals0

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  1. “Two in one”: an unprecedented mixed anion, Ba 2 (C 3 N 3 O 3 )(CNO), with the coexistence of isolated sp and sp 2 π-conjugated groups

    Dalton Transactions · 2019-01-01

    Jian Tang, Fei Liang, Xianghe Meng, Kaijin Kang, Tixian Zeng, Wenlong Yin, Mingjun Xia, Zheshuai Lin, Bin Kang

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  2. A rich structural chemistry in π-conjugated hydroisocyanurates: layered structures of A 2 B(H 2 C 3 N 3 O 3 ) 4 · n H 2 O (A = K, Rb, Cs; B = Mg, Ca; n = 4, 10) with high ultraviolet transparency and strong optical anisotropy

    Dalton Transactions · 2019-01-01

    Xianghe Meng, Fei Liang, Kaijin Kang, Jian Tang, Qian Huang, Wenlong Yin, Zheshuai Lin, Mingjun Xia

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  3. Co-crystal LiCl·(H 3 C 3 N 3 O 3 ): a promising solar-blind nonlinear optical crystal with giant nonlinearity from coplanar π-conjugated groups

    Chemical Communications · 2019-01-01

    Fei Liang, Naizheng Wang, Xiaomeng Liu, Zheshuai Lin, Yicheng Wu

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  4. Intrinsic zero thermal expansion in cube cyanurate K 6 Cd 3 (C 3 N 3 O 3 ) 4

    Inorganic Chemistry Frontiers · 2019-01-01

    Mingjun Xia, Fei Liang, Xianghe Meng, Yonggang Wang, Zheshuai Lin

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  5. LiO 4 tetrahedra lock the alignment of π-conjugated layers to maximize optical anisotropy in metal hydroisocyanurates

    Inorganic Chemistry Frontiers · 2019-01-01

    Xianghe Meng, Fei Liang, Jian Tang, Kaijin Kang, Wenlong Yin, Tixian Zeng, Bin Kang, Zheshuai Lin, Mingjun Xia

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  6. RE(H 2 C 3 N 3 O 3 ) 2 ·(OH)· x H 2 O (RE = La, Y and Gd): potential UV birefringent materials with strong optical anisotropy originating from the (H 2 C 3 N 3 O 3 ) − group

    Dalton Transactions · 2019-01-01

    Xia Hao, Min Luo, Chensheng Lin, Donghong Lin, Liling Cao, Ning Ye

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  7. Parallel Alignment of π-Conjugated Anions in Hydroisocyanurates Enhancing Optical Anisotropy

    Inorganic Chemistry · 2019-06-21

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  8. Ba2M(C3N3O3)2 (M = Sr, Pb): Band Engineering from p−π Interaction via Homovalent Substitution in Metal Cyanurates Containing Planar π-Conjugated Groups

    Inorganic Chemistry · 2019-07-15

    Kaijin Kang, Fei Liang, Xianghe Meng, Jian Tang, Tixian Zeng, Wenlong Yin, Mingjun Xia, Zheshuai Lin, Bin Kang

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  9. Facile Growth of an Ultraviolet Hydroisocyanurate Crystal with Strong Nonlinearity and a Wide Phase-Matching Region from π-Conjugated (HC3N3O3)2– Groups

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  10. RbNa(HC 3 N 3 O 3 )·2H 2 O exhibiting a strong second harmonic generation response and large birefringence as a new potential UV nonlinear optical material

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  11. “Old dog, new tricks”: the lone pair effect inducing divergent optical responses in lead cyanurates containing π-bonds

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    Xianghe Meng, Kaijin Kang, Fei Liang, Jian Tang, Zheshuai Lin, Wenlong Yin, Mingjun Xia

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  12. Rb3Na(H2C3N3O3)4·3H2O with Large Birefringence

    ACS Omega · 2019-12-13

    Mukeremu Aibibula, Li Wang, Shuzhao Huang

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  13. Structural Diversity and Giant Birefringence in Cyanates BaCNOX (X = Cl, Br, I, and CNO) Containing Linear π-Conjugated Units: A Combined Experimental and Theoretical Study

    Crystal Growth & Design · 2019-12-27

    Jian Tang, Xianghe Meng, Fei Liang, Kaijin Kang, Tixian Zeng, Mingjun Xia, Wenlong Yin, Zheshuai Lin, Bin Kang

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  14. 2(C 3 H 7 N 6 ) + ·2Cl − ·H 2 O: an ultraviolet nonlinear optical crystal with large birefrigence and strong second-harmonic generation

    Chemical Communications · 2020-01-01

    Lehui Liu, Chun‐Li Hu, Zhiyong Bai, Feifei Yuan, Yisheng Huang, Lizhen Zhang, Zhoubin Lin

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  15. Hydroisocyanurates X 2 Y(H 2 C 3 N 3 O 3 ) 4 ·4H 2 O (X = K, Cs; Y = Zn, Cd) with large birefringence stemming from π-conjugated (H 2 C 3 N 3 O 3 ) − anions

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    Kaijin Kang, Xianghe Meng, Fei Liang, Jian Tang, Tixian Zeng, Wenlong Yin, Zheshuai Lin, Mingjun Xia

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  16. Inorganic planar π-conjugated groups in nonlinear optical crystals: review and outlook

    Inorganic Chemistry Frontiers · 2020-01-01

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  17. K 4 Cu 3 (C 3 N 3 O 3 ) 2 X (X = Cl, Br): strong anisotropic layered semiconductors containing mixed p–p and d–p conjugated π-bonds

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    Kaijin Kang, Fei Liang, Xianghe Meng, Jian Tang, Tixian Zeng, Mingjun Xia, Zheshuai Lin, Wenlong Yin, Bin Kang

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  18. Optimal arrangement of π-conjugated anionic groups in hydro-isocyanurates leads to large optical anisotropy and second-harmonic generation effect

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  19. Second-order nonlinear optical materials with a benzene-like conjugated π system

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  20. An Exceptional Peroxide Birefringent Material Resulting from d–π Interactions

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  21. An Exceptional Peroxide Birefringent Material Resulting from d–π Interactions

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  22. A(H3C3N3O3)(NO3) (A = K, Rb): Alkali-Metal Nitrate Isocyanurates with Strong Optical Anisotropy

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  23. An Optimal Arrangement of (H2C4N2O3)2– Groups in the First Non-Centrosymmetric Alkali Barbiturate Li2(H2C4N2O3)·2H2O Inducing a Giant Second Harmonic Generation Response and a Striking Birefringence

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  24. A UV birefringent crystal: RbNH4(H2C3N3O3)2·2H2O

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  25. Mechanochemical Synthesis of an Ionic Cocrystal with Large Birefringence Resulting from Neutral Planar π-Conjugated Groups

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  26. Co-crystal AX·(H 3 C 3 N 3 O 3 ) (A = Na, Rb, Cs; X = Br, I): a series of strongly anisotropic alkali halide cyanurates with a planar structural motif and large birefringence

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  27. K 2 Pb(H 2 C 3 N 3 O 3 ) 4 (H 2 O) 4 : a potential UV nonlinear optical material with large birefringence

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  28. Zn(H 2 C 3 N 3 O 3 ) 2 ·3H 2 O: the first single- d 10 transition metal based ultraviolet hydroisocyanurate crystal with large birefringence

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  29. The First Positive Uniaxial Cyanurate Crystals Containing a Crown-like Anionic Group Arrangement and Strengthened Optical Anisotropy

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  30. Cyanurates consisting of intrinsic planar π-conjugated 6-membered rings: An emerging source of optical functional materials

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  31. From Centrosymmetry to Noncentrosymmetry: Tailoring the Structural Arrangements of Carbonates with Strong Nonlinear Optical Response through Partial Anion Substitution

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  32. Structure-performance relationship in tri-coordinated nonlinear optical materials toward optimal second harmonic generation and phase matching

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  33. AZn4(OH)4(C3N3O3)2 (A = Mg, Zn): Two Zn-Based Cyanurate Crystals with Various Cation Coordination and Large Birefringence

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  34. Synthesis and Characterization of New-Type Ionic Cocrystals with Cyanuric Acid and Alkali Halides: AX·(H3C3N3O3)2 (A = Rb, Cs; X = Cl, Br)

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  35. A flexible functional module to regulate ultraviolet optical nonlinearity for achieving a balance between a second-harmonic generation response and birefringence

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  36. From Pb(H 2 C 3 N 3 O 3 )(OH) to Pb(H 2 C 3 N 3 O 3 )F: Homovalent Anion Substitution-Induced Band Gap Enlargement and Birefringence Enhancement

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  37. Driving Nonlinear Optical Activity with Dipolar 2-Aminopyrimidinium Cations in (C4H6N3)+(H2PO3)−

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  38. Crystal Growth and Physical Properties of the Nonlinear Optical Crystal KLi(HC3N3O3)·2H2O

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  39. Directional Construction of New Nonlinear Optical Bifunctional Units through Molecular Engineering Design Inspired by the B 3 O 7 -Typed Configuration

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  40. Perfectly Encoding π‐Conjugated Anions in the RE5(C3N3O3)(OH)12 (RE=Y, Yb, Lu) Family with Strong Second Harmonic Generation Response and Balanced Birefringence

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  41. Perfectly Encoding π‐Conjugated Anions in the RE5(C3N3O3)(OH)12 (RE=Y, Yb, Lu) Family with Strong Second Harmonic Generation Response and Balanced Birefringence

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  42. K 3 C 6 N 7 O 3 ·2H 2 O: A Multifunctional Nonlinear Optical Cyamelurate Crystal with Colossal π-Conjugated Orbitals

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  43. Explorations of Second-Order Nonlinear Optical Materials in the Monovalent Trithiocyanurate System

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  44. Compounds consisting of coplanar π-conjugated B3O6-typed structures: An emerging source of ultraviolet nonlinear optical materials

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  45. C14H10BrNO2: A Birefringent Crystal with an Expanded π-Conjugated Group

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  46. NaCl·CH4N2O·H2O: An Organic–Inorganic Hybrid Ultraviolet Nonlinear Optical Crystal with Optimized Comprehensive Properties

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

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  48. Mg(C 3 O 4 H 2 )(H 2 O) 2 : A New Ultraviolet Nonlinear Optical Material Derived from KBe 2 BO 3 F 2 with High Performance and Excellent Water‐Resistance

    Angewandte Chemie · 2023-11-27

    Lingli Wu, Chensheng Lin, Haotian Tian, Yuqiao Zhou, Huixin Fan, Shunda Yang, Ning Ye, Min Luo

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  49. Mg(C3O4H2)(H2O)2: A New Ultraviolet Nonlinear Optical Material Derived from KBe2BO3F2 with High Performance and Excellent Water‐Resistance

    Angewandte Chemie International Edition · 2023-11-28

    Lingli Wu, Chensheng Lin, Haotian Tian, Yuqiao Zhou, Huixin Fan, Shunda Yang, Ning Ye, Min Luo

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  50. Alkali-metal isocyanurate Cs 3 (H 2 C 3 N 3 O 3 ) 3 (H 3 C 3 N 3 O 3 )·3H 2 O: synthesis and characterization

    CrystEngComm · 2024-01-01

    Xinyue Wang, Dandan Wang, Yujie Liu, Jinhui Wang

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