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RESEARCH PAPER · Chemical Communications · 2019

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

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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 groupsOriginal“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 anisotropy47Intrinsic 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– Groups45How To Maximize Birefringence and Nonlinearity of π-Conjugated Cyanurates327An unprecedented planar π-conjugated [B 2 P 5 ] 5− group with ultra-large birefringence and nonlinearity: an ab initio study17“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 Study13[Al(H 2 O) 6 ](IO 3 ) 2 (NO 3 ): a material with enhanced birefringence induced by synergism of two superior functional motifs292(C 3 H 7 N 6 ) + ·2Cl − ·H 2 O: an ultraviolet nonlinear optical crystal with large birefrigence and strong second-harmonic generation78Facile synthesis of cesium trithiocyanurate with high ionic conductivity and large birefringence properties17Hydroisocyanurates 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-bonds7Second-order nonlinear optical materials with a benzene-like conjugated π system49Observation of field-induced single-ion magnet behavior in a mononuclear DyIII complex by co-crystallization of a square-planar CuII complex9Functional Chalcogenide Na2HgSn2Se6 and K2MnGe2Se6 Exhibiting Flexible Chain Structure and Intriguing Birefringence Tunability16A(H3C3N3O3)(NO3) (A = K, Rb): Alkali-Metal Nitrate Isocyanurates with Strong Optical Anisotropy47A UV birefringent crystal: RbNH4(H2C3N3O3)2·2H2O14Mechanochemical Preparation and Solid-State Characterization of 1:1 and 2:1 Ionic Cocrystals of Cyanuric Acid with Alkali Halides12Explorations of Second-Order Nonlinear Optical Materials in the Alkaline Earth Barbiturate System: Noncentrosymmetric Ca(H3C4N2O3)2·H2O and Centrosymmetric Sr(H5C8N4O5)2·4H2O23Mechanochemical Synthesis of an Ionic Cocrystal with Large Birefringence Resulting from Neutral Planar π-Conjugated Groups26BaTi(BO 3 ) 2 : an excellent birefringent material with highly coplanar isolated [BO 3 ] groups16Co-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 birefringence50π‑Conjugated Trigonal Planar [C(NH2)3]+ Cationic Group: A Superior Functional Unit for Ultraviolet Nonlinear Optical Materials52LiZn(OH)CO3: A Deep‐Ultraviolet Nonlinear Optical Hydroxycarbonate Designed from a Diamond‐like Structure180LiZn(OH)CO3: A Deep‐Ultraviolet Nonlinear Optical Hydroxycarbonate Designed from a Diamond‐like Structure10Cyanurates consisting of intrinsic planar π-conjugated 6-membered rings: An emerging source of optical functional materials111The application and development of the first principles calculation in nonlinear optical materials1An Overview on Recent Trends in Deep‐Ultraviolet (DUV) and Ultraviolet (UV) Nonlinear Optical Crystals25Synthesis and Characterization of New-Type Ionic Cocrystals with Cyanuric Acid and Alkali Halides: AX·(H3C3N3O3)2 (A = Rb, Cs; X = Cl, Br)6A novel 2-(aminomethyl)pyridineH 2 PO 4 crystal with second-order nonlinear optical performance8A thermodynamic criterion for the choice of flux and its validity in NaBO 2 -fluxed β-BaB 2 O 4 crystal growth0KF·B(OH) 3 : a KBBF-type material with large birefringence and remarkable deep-ultraviolet transparency33l -Proline, a resolution agent able to target both enantiomers of mandelic acid: an exciting case of stoichiometry controlled chiral resolution17Performance of optical materials with the derivative of planar π-conjugated groups: Recent advances and future prospects37CsY(SO4)2·4H2O: A Deep-Ultraviolet Birefringent Crystal Induced by an Edge-Sharing Connection26Crystal Growth and Physical Properties of the Nonlinear Optical Crystal KLi(HC3N3O3)·2H2O15Noncentrosymmetric (C3H7N6)6(H2PO4)4(HPO4)·4H2O and Centrosymmetric (C3H7N6)2SO4·2H2O: Exploration of Acentric Structure by Combining Planar and Tetrahedral Motifs via Hydrogen Bonds37Directional Construction of New Nonlinear Optical Bifunctional Units through Molecular Engineering Design Inspired by the B 3 O 7 -Typed Configuration23(C3N6H7)2SbF5·H2O Exhibiting Strong Optical Anisotropy from the Optimal Arrangement of π-Conjugated (C3N6H7)+ Groups31Perfectly 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 System18C 3 N 6 H 7 SO 3 NH 2 : non-π-conjugated tetrahedra decoupling π-conjugated groups achieving large optical anisotropy and wide band gap29Compounds consisting of coplanar π-conjugated B3O6-typed structures: An emerging source of ultraviolet nonlinear optical materials20Cs[B 3 O 3 F 2 (OH) 2 ]: discovery of a hydroxyfluorooxoborate guided by selective organic–inorganic transformation13Recent advances on the synthesis of Sb(III)-based inorganic ultraviolet nonlinear optical materials47Ultrastable 3D cage-like metal–organic frameworks constructed using polydentate cyanurate ligands and their gas adsorption properties6Syntheses, Structures, and Magnetic Properties of Novel [3×1 + 2×1] Pentanuclear Zinc(II)-Lanthanide(III) Cocrystal Complexes: Slow Magnetic Relaxation Behavior of the Dy(III) Analogue12A Second‐Order Nonlinear Optical Material Consisting of Two π‐Conjugated Groups10A BBO-like trithiocyanate with significantly enhanced birefringence and second-harmonic generation39Cs 2 Mg(H 2 C 3 N 3 S 3 ) 4 ·8H 2 O: An Excellent Birefringent Material with Giant Optical Anisotropy in π-Conjugated Trithiocyanurate19Design of the Ionic Organic Nonlinear Optical Material NH 4 [LiC 3 H(CH 3 )O 4 ] with Ultrawide Band Gap and Moderate Birefringence79Design of the Ionic Organic Nonlinear Optical Material NH 4 [LiC 3 H(CH 3 )O 4 ] with Ultrawide Band Gap and Moderate Birefringence9Enlargement of Bandgap and Birefringence in Nonlinear Optical Alkali‐Metal Sulfate Crystals by the Substitution of Asymmetrical Non‐π‐Conjugated Cation8Mg(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‐Resistance43Crystal clear: unveiling giant birefringence in organic–inorganic cocrystals33Recent advances in rational structure design for nonlinear optical crystals: leveraging advantageous templates153(C8H6BrN2O)NO3: A Hybrid Nonlinear Optical Crystal With an Appropriate Birefringence12(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 Birefringence2Achieving the Birefringence Optimization by Methyl Modulation in Organic Nonlinear Optical Crystals15Nonlinear optical cyanurate crystals15An alkali and rare earth metal mixed cyanurate KLa2(C3N3O3)2Cl with large birefringence: Synthesis and characterization2Engineering an Excellent β ‐BaB 2 O 4 ‐Inspired UV Nonlinear Optical Material Through Secondary Building Unit Substitution21Engineering an Excellent β ‐BaB 2 O 4 ‐Inspired UV Nonlinear Optical Material Through Secondary Building Unit Substitution6Achieving the birefringence-bandgap trade-off: Hydrogen-bond engineered biuret-cyanurate14A one-pot method in water to synthesize a new cyanurate K(H 2 C 3 N 3 O 3 )·H 2 O with large birefringence2Stoichiometry Controls Packing and Luminescence: Two Cocrystals of 2-Hydroxymethylbenzimidazole with TCNB0

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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. 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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  4. 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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  5. 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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  6. Parallel Alignment of π-Conjugated Anions in Hydroisocyanurates Enhancing Optical Anisotropy

    Inorganic Chemistry · 2019-06-21

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

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

    Inorganic Chemistry · 2019-08-15

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

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  9. How To Maximize Birefringence and Nonlinearity of π-Conjugated Cyanurates

    Journal of the American Chemical Society · 2019-09-12

    Jing Lu, Yu‐Kun Lian, Lin Xiong, Qianru Wu, Min Zhao, Ke-Xin Shi, Ling Chen, Li‐Ming Wu

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  10. An unprecedented planar π-conjugated [B 2 P 5 ] 5− group with ultra-large birefringence and nonlinearity: an ab initio study

    Chemical Communications · 2019-12-04

    Pifu Gong, Shengzi Zhang, Gaomin Song, Xiaomeng Liu, Zheshuai Lin

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

    Dalton Transactions · 2019-12-11

    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. [Al(H 2 O) 6 ](IO 3 ) 2 (NO 3 ): a material with enhanced birefringence induced by synergism of two superior functional motifs

    Chemical Communications · 2020-01-01

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

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  15. 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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  16. Facile synthesis of cesium trithiocyanurate with high ionic conductivity and large birefringence properties

    CrystEngComm · 2020-01-01

    Jianmin Zhao, Hongkun Liu, Xiaodong Zhang, Bingbing Zhang, Ying Wang

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

    Inorganic Chemistry Frontiers · 2020-01-01

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

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  21. Observation of field-induced single-ion magnet behavior in a mononuclear DyIII complex by co-crystallization of a square-planar CuII complex

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  22. Functional Chalcogenide Na2HgSn2Se6 and K2MnGe2Se6 Exhibiting Flexible Chain Structure and Intriguing Birefringence Tunability

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

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

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  25. Mechanochemical Preparation and Solid-State Characterization of 1:1 and 2:1 Ionic Cocrystals of Cyanuric Acid with Alkali Halides

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  26. Explorations of Second-Order Nonlinear Optical Materials in the Alkaline Earth Barbiturate System: Noncentrosymmetric Ca(H3C4N2O3)2·H2O and Centrosymmetric Sr(H5C8N4O5)2·4H2O

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

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  28. BaTi(BO 3 ) 2 : an excellent birefringent material with highly coplanar isolated [BO 3 ] groups

    New Journal of Chemistry · 2021-01-01

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  29. 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

    Dalton Transactions · 2021-01-01

    Jinhui Wang, Xinyuan Zhang, Fei Liang, Zhanggui Hu, Yicheng Wu

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  30. 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

    Inorganic Chemistry Frontiers · 2021-01-01

    Yan Chen, Chun‐Li Hu, Zhi Gang Fang, Jiang‐Gao Mao

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  31. π‑Conjugated Trigonal Planar [C(NH2)3]+ Cationic Group: A Superior Functional Unit for Ultraviolet Nonlinear Optical Materials

    ACS Omega · 2021-03-23

    Yunxia Song, Min Luo, Donghong Lin, Chensheng Lin, Zujian Wang, Xifa Long, Ning Ye

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  32. LiZn(OH)CO3: A Deep‐Ultraviolet Nonlinear Optical Hydroxycarbonate Designed from a Diamond‐like Structure

    Angewandte Chemie International Edition · 2021-04-06

    Xiaomeng Liu, Lei Kang, Pifu Gong, Zheshuai Lin

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  33. LiZn(OH)CO3: A Deep‐Ultraviolet Nonlinear Optical Hydroxycarbonate Designed from a Diamond‐like Structure

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

    Coordination Chemistry Reviews · 2021-04-14

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  35. The application and development of the first principles calculation in nonlinear optical materials

    Scientia Sinica Chimica · 2021-08-05

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  36. An Overview on Recent Trends in Deep‐Ultraviolet (DUV) and Ultraviolet (UV) Nonlinear Optical Crystals

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

    Crystal Growth & Design · 2021-11-19

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  38. A novel 2-(aminomethyl)pyridineH 2 PO 4 crystal with second-order nonlinear optical performance

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  39. A thermodynamic criterion for the choice of flux and its validity in NaBO 2 -fluxed β-BaB 2 O 4 crystal growth

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  40. KF·B(OH) 3 : a KBBF-type material with large birefringence and remarkable deep-ultraviolet transparency

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  41. l -Proline, a resolution agent able to target both enantiomers of mandelic acid: an exciting case of stoichiometry controlled chiral resolution

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  42. Performance of optical materials with the derivative of planar π-conjugated groups: Recent advances and future prospects

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  43. CsY(SO4)2·4H2O: A Deep-Ultraviolet Birefringent Crystal Induced by an Edge-Sharing Connection

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

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  45. Noncentrosymmetric (C3H7N6)6(H2PO4)4(HPO4)·4H2O and Centrosymmetric (C3H7N6)2SO4·2H2O: Exploration of Acentric Structure by Combining Planar and Tetrahedral Motifs via Hydrogen Bonds

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

    ACS Applied Materials & Interfaces · 2022-07-07

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  47. (C3N6H7)2SbF5·H2O Exhibiting Strong Optical Anisotropy from the Optimal Arrangement of π-Conjugated (C3N6H7)+ Groups

    Inorganic Chemistry · 2022-08-31

    Yaoguo Shen, Bo Wen Chen, Hao Chen, Junhua Luo

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  48. 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

    Angewandte Chemie International Edition · 2022-11-08

    Xianghe Meng, Xingyu Zhang, Qingxiong Liu, Zhengyang Zhou, Xingxing Jiang, Yonggang Wang, Zheshuai Lin, Mingjun Xia

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  49. 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

    Angewandte Chemie · 2022-11-08

    Xianghe Meng, Xingyu Zhang, Qingxiong Liu, Zhengyang Zhou, Xingxing Jiang, Yonggang Wang, Zheshuai Lin, Mingjun Xia

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

    ACS Applied Materials & Interfaces · 2022-11-15

    Xinyuan Zhang, Xiaoguang Du, Jinhui Wang, Fangyan Wang, Fei Liang, Zhanggui Hu, Zheshuai Lin, Yicheng Wu

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