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RESEARCH PAPER · Inorganic Chemistry · 2017

Noncentrosymmetric Cubic Cyanurate K6Cd3(C3N3O3)4 Containing Isolated Planar π-Conjugated (C3N3O3)3– Groups

Mingjun Xia, Molin Zhou, Fei Liang, Xianghe Meng, Jiyong Yao, Zheshuai Lin, Rukang K. Li

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Noncentrosymmetric Cubic Cyanurate K6Cd3(C3N3O3)4 Containing Isolated Planar π-Conjugated (C3N3O3)3– GroupsOriginalBa 2 M(C 3 N 3 O 3 ) 2 (M = Mg, Ca): potential UV birefringent materials with strengthened optical anisotropy originating from the (C 3 N 3 O 3 ) 3− group83Hydrogen Bonding Assisted Construction of Graphite-like Deep-UV Optical Materials with Two Types of Parallel π-Conjugated Units22Lattice dynamics of Bi3TeBO9 microcrystals: μ-Raman/IR spectroscopic investigation and ab initio analysis11Ba3(C3N3O3)2: A New Phase of Barium Cyanurate Containing Parallel π-Conjugated Groups as a Birefringent Material Replacement for Calcite62“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 new ultraviolet transparent hydra-cyanurate K 2 (C 3 N 3 O 3 H) with strong optical anisotropy from delocalized π-bonds56A 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 groups78Cs 2 CdV 2 O 6 Cl 2 and Cs 3 CdV 4 O 12 Br: two new non-centrosymmetric oxyhalides containing d 0 and d 10 cations and exhibiting second harmonic generation activity19Intrinsic 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 hydroisocyanurates44The Sodium (Iso)Cyanurates Nax[H3–xC3N3O3]·yH2O (x = 1–3, y = 0, 1): A Key‐Series for Understanding the Crystal Chemistry of Metal (Iso)Cyanurates30KLi(HC 3 N 3 O 3 )·2H 2 O: Solvent-drop Grinding Method toward the Hydro-isocyanurate Nonlinear Optical Crystal314Cs3Na(H2C3N3O3)4·3H2O: A Mixed Alkali‐Metal Hydroisocyanurate Nonlinear Optical Material Containing π‐Conjugated Six‐Membered‐Ring Units68Molecular Disorder Induced by the Application of an External Magnetic Field during Crystal Growth3Parallel 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– Groups45Nitrate nonlinear optical crystals: A survey on structure-performance relationships146How To Maximize Birefringence and Nonlinearity of π-Conjugated Cyanurates327“Old dog, new tricks”: the lone pair effect inducing divergent optical responses in lead cyanurates containing π-bonds18Structural Diversity and Giant Birefringence in Cyanates BaCNOX (X = Cl, Br, I, and CNO) Containing Linear π-Conjugated Units: A Combined Experimental and Theoretical Study13Hydroisocyanurates 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-bonds7M 4 LiBe 4 P 7 O 24 and M 4 Li(Li 3 P)P 7 O 24 (M = Cs, Rb): deep-ultraviolet nonlinear-optical phosphates with a tetrahedra-substituted paracelsian-like framework9Optimal 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 system49Mechanochemical Synthesis of an Ionic Cocrystal with Large Birefringence Resulting from Neutral Planar π-Conjugated Groups26K 2 Pb(H 2 C 3 N 3 O 3 ) 4 (H 2 O) 4 : a potential UV nonlinear optical material with large birefringence50Cyanurates 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 Substitution33AZn4(OH)4(C3N3O3)2 (A = Mg, Zn): Two Zn-Based Cyanurate Crystals with Various Cation Coordination and Large Birefringence22The application and development of the first principles calculation in nonlinear optical materials1Driving Nonlinear Optical Activity with Dipolar 2-Aminopyrimidinium Cations in (C4H6N3)+(H2PO3)−115Cd4InO(BO3)3: A New Nonlinear Optical Crystal Exhibiting Strong Second Harmonic Generation Effect and Moderate Birefringence2K 3 C 6 N 7 O 3 ·2H 2 O: A Multifunctional Nonlinear Optical Cyamelurate Crystal with Colossal π-Conjugated Orbitals44Compounds consisting of coplanar π-conjugated B3O6-typed structures: An emerging source of ultraviolet nonlinear optical materials20KRb 2 (NO 3 ) 2 Cl: a new birefringent crystal exhibiting a perovskite-related framework and a short cutoff edge6Ultrastable 3D cage-like metal–organic frameworks constructed using polydentate cyanurate ligands and their gas adsorption properties6Recent progress of newly developed functional building units and corresponding nonlinear optical materials14Na4[B6O9 (OH)3](H2O) Cl: A Deep-Ultraviolet Transparent Nonlinear Optical Borate Chloride with {[B6O9 (OH)3]3–}∞ Chains5Introduction of the [B–O/F] Units Enhances the Band Gap and Birefringence from Na6Mg3B10O18F6 to K3NaB10O16F211Chiral amino acid-templated tin fluorides tailoring nonlinear optical properties, birefringence, and photoluminescence17A defect pyrochlore-like acentric cubic lead titanium-tellurate crystal exhibiting strong second harmonic generation activity and an extended transparent window4N 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 templates153Hg16O12(NO3)6F2(H2O): A Mercury-Rich Nitrate Oxyfluoride with Diverse Triple-Coordinated Mercury-Based Units That Exhibits an Unparalleled [(Hg16O12F2(H2O))6+]∞ Cationic Framework and a Large Birefringence12Synthesis, Structure, and Magnetic Properties of Cyanurates RE5(C3N3O3)(OH)12 (RE = Gd–Lu): Cryogenic Magnetocaloric Candidate Gd5(C3N3O3)(OH)126Noncentrosymmetric Crystal [C10H8NO2]2SiF6·H2O with Large Birefringence12C6N7(NH2)3·H3PO4: Strong Second Harmonic Generation and Giant Birefringence Benefiting from Amino Substitution Strategy24Nonlinear optical cyanurate crystals15Unveiling Charge Dependent Law to Enhance Birefringence in 2‐Aminopyrimidine Family21Optimizing optical anisotropy in low-dimensional structures via intralayer hydrogen bonding modulation and anionic substitution17Sr2Zn(C3N3O3)2: An Alkaline Earth and d10 Transition Metal Based Ultraviolet Cyanurate with Large Birefringence6[CON3H6BF4]: An Efficient Metal‐Free Borate with Optimized Birefringence Achieved by Structural Design Strategy15Achieving Ultra‐High Optical Anisotropy via Structural Regulation and Coplanar Engineering of Extended π‐Conjugated [H 2–x C 3 N 3 S 3 ] (x = 1, 2) Groups3[CdCl 2 (4-Aminopyridine) 2 ] n : Synergistic Enhancement of Second-Harmonic Generation and Birefringence Enabled by a π-Conjugated Ligand for UV Nonlinear Optics5Nonlinear Optical Properties of Fe(II) and Ru(II) Alkynyl-Functionalized 1,3,5-Triphenyl-1,3,5-triazine-2,4,6-triones and 1,3,5-Triphenylbenzenes: Syntheses, Second-Harmonic Generation and Two-Photon Absorption2

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  1. Ba 2 M(C 3 N 3 O 3 ) 2 (M = Mg, Ca): potential UV birefringent materials with strengthened optical anisotropy originating from the (C 3 N 3 O 3 ) 3− group

    Journal of Materials Chemistry C · 2018-01-01

    Zhuang Li, Fei Liang, Yangwu Guo, Zheshuai Lin, Jiyong Yao, Guochun Zhang, Wenlong Yin, Yicheng Wu, Chuangtian Chen

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  2. Hydrogen Bonding Assisted Construction of Graphite-like Deep-UV Optical Materials with Two Types of Parallel π-Conjugated Units

    Crystal Growth & Design · 2018-07-02

    Fangfang He, Qian Wang, Mengjiao Liu, Ling Huang, Daojiang Gao, Jian Bi, Guohong Zou

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  3. Lattice dynamics of Bi3TeBO9 microcrystals: μ-Raman/IR spectroscopic investigation and ab initio analysis

    Journal of Alloys and Compounds · 2018-12-11

    Dobrosława Kasprowicz, Taras Zhezhera, Andrzej Łapiński, M. Chrunik, A. Majchrowski, Andriy V. Kityk, Yaroslav Shchur

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  4. Ba3(C3N3O3)2: A New Phase of Barium Cyanurate Containing Parallel π-Conjugated Groups as a Birefringent Material Replacement for Calcite

    Crystal Growth & Design · 2018-12-28

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

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  5. “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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  6. A new ultraviolet transparent hydra-cyanurate K 2 (C 3 N 3 O 3 H) with strong optical anisotropy from delocalized π-bonds

    Dalton Transactions · 2019-01-01

    Naizheng Wang, Fei Liang, Yi Jin Yang, Shengzi Zhang, Zheshuai Lin

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  7. 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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  8. 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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  9. Cs 2 CdV 2 O 6 Cl 2 and Cs 3 CdV 4 O 12 Br: two new non-centrosymmetric oxyhalides containing d 0 and d 10 cations and exhibiting second harmonic generation activity

    Dalton Transactions · 2019-01-01

    Yanjun Li, Dan Zhang, Lili Liu, Weiguo Zhang, Jiang Zhang, Ye Cong, Xuanke Li, P. Shiv Halasyamani

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  10. 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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  11. 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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  12. The Sodium (Iso)Cyanurates Nax[H3–xC3N3O3]·yH2O (x = 1–3, y = 0, 1): A Key‐Series for Understanding the Crystal Chemistry of Metal (Iso)Cyanurates

    Zeitschrift für anorganische und allgemeine Chemie · 2019-01-25

    Peter Groß, Henning A. Höppe

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  13. KLi(HC 3 N 3 O 3 )·2H 2 O: Solvent-drop Grinding Method toward the Hydro-isocyanurate Nonlinear Optical Crystal

    Journal of the American Chemical Society · 2019-02-12

    Donghong Lin, Min Luo, Chensheng Lin, Feng Xu, Ning Ye

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

    European Journal of Inorganic Chemistry · 2019-04-08

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

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  15. Molecular Disorder Induced by the Application of an External Magnetic Field during Crystal Growth

    The Journal of Physical Chemistry C · 2019-05-31

    Dan‐Li Hong, Yang‐Hui Luo, Xiao‐Tong He, Chang Rong He, Zi‐Yue Zheng, Shan Su, Cong Wang, Jiaying Wang, Chen Chen, Bai‐Wang Sun

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  16. 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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  17. 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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  18. 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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  19. Nitrate nonlinear optical crystals: A survey on structure-performance relationships

    Coordination Chemistry Reviews · 2019-09-10

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

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

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  21. “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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  22. 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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  23. 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

    CrystEngComm · 2020-01-01

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

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

    Inorganic Chemistry Frontiers · 2020-01-01

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  25. 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

    Chemical Communications · 2020-01-01

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

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  26. M 4 LiBe 4 P 7 O 24 and M 4 Li(Li 3 P)P 7 O 24 (M = Cs, Rb): deep-ultraviolet nonlinear-optical phosphates with a tetrahedra-substituted paracelsian-like framework

    Chemical Communications · 2020-01-01

    Yi-Gang Chen, Chunyu Yang, Fang Wang, Yao Guo, Xingxing Jiang, Xian‐Ming Zhang

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

    Inorganic Chemistry Frontiers · 2020-01-01

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

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

    Chemical Communications · 2020-01-01

    Hongkun Liu, Bingbing Zhang, Ying Wang

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

    Crystal Growth & Design · 2020-11-10

    Xianghe Meng, Kaijin Kang, Youquan Liu, Jian Tang, Xingxing Jiang, Wenlong Yin, Zheshuai Lin, Mingjun Xia

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

    Coordination Chemistry Reviews · 2021-04-14

    Xianghe Meng, Wenlong Yin, Mingjun Xia

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

    Advanced Optical Materials · 2021-05-22

    Xianghe Meng, Pifu Gong, Chunlan Tang, Wenlong Yin, Zheshuai Lin, Mingjun Xia

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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

    Inorganic Chemistry · 2021-07-16

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

    Scientia Sinica Chimica · 2021-08-05

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

    Chemistry of Materials · 2022-02-08

    Zi‐Peng Zhang, Xin Liu, Xiaomeng Liu, Zhong-Wei Lu, Xin Sui, Bo-Yu Zhen, Zheshuai Lin, Ling Chen, Li‐Ming Wu

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  36. Cd4InO(BO3)3: A New Nonlinear Optical Crystal Exhibiting Strong Second Harmonic Generation Effect and Moderate Birefringence

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

    Chinese Journal of Structural Chemistry · 2023-01-01

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  39. KRb 2 (NO 3 ) 2 Cl: a new birefringent crystal exhibiting a perovskite-related framework and a short cutoff edge

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  40. Ultrastable 3D cage-like metal–organic frameworks constructed using polydentate cyanurate ligands and their gas adsorption properties

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  41. Recent progress of newly developed functional building units and corresponding nonlinear optical materials

    Chinese Journal of Structural Chemistry · 2023-05-11

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  42. Na4[B6O9 (OH)3](H2O) Cl: A Deep-Ultraviolet Transparent Nonlinear Optical Borate Chloride with {[B6O9 (OH)3]3–}∞ Chains

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  43. Introduction of the [B–O/F] Units Enhances the Band Gap and Birefringence from Na6Mg3B10O18F6 to K3NaB10O16F2

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  44. Chiral amino acid-templated tin fluorides tailoring nonlinear optical properties, birefringence, and photoluminescence

    Dalton Transactions · 2023-11-30

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  45. A defect pyrochlore-like acentric cubic lead titanium-tellurate crystal exhibiting strong second harmonic generation activity and an extended transparent window

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

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  47. Recent advances in rational structure design for nonlinear optical crystals: leveraging advantageous templates

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  48. Hg16O12(NO3)6F2(H2O): A Mercury-Rich Nitrate Oxyfluoride with Diverse Triple-Coordinated Mercury-Based Units That Exhibits an Unparalleled [(Hg16O12F2(H2O))6+]∞ Cationic Framework and a Large Birefringence

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  49. Synthesis, Structure, and Magnetic Properties of Cyanurates RE5(C3N3O3)(OH)12 (RE = Gd–Lu): Cryogenic Magnetocaloric Candidate Gd5(C3N3O3)(OH)12

    Inorganic Chemistry · 2024-07-10

    Tianyu Wang, Ruixin Guo, Qingxiong Liu, Qian Wu, Xianghe Meng, Zhengyang Zhou, Shu Hai Guo, Mingjun Xia

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  50. Noncentrosymmetric Crystal [C10H8NO2]2SiF6·H2O with Large Birefringence

    Inorganic Chemistry · 2024-07-12

    Liqin Liu, Hai‐Lan Huang, Mingliang Ding, Yaoguo Shen

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