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RESEARCH PAPER · Chemistry of Materials · 2021

Finding a Series of BaBOF3 Fluorooxoborate Polymorphs with Tunable Symmetries: A Simple but Flexible Case

Kaitong Liu, Jian Wei Han, Tuohetijiang Baiheti, Fuming Li, Zhonglei Wei, Zhihua Yang, Miriding Mutailipu, Shilie Pan

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Finding a Series of BaBOF3 Fluorooxoborate Polymorphs with Tunable Symmetries: A Simple but Flexible CaseOriginalNa 2 SrB 16 O 26 : a new borate with independent interpenetrating B–O networks and deep-ultraviolet cutoff edge4Na 3 YB 8 O 15 : a new rare-earth borate with an infinite one-dimensional [B 8 O 15 ] ∞ chain and a short ultraviolet cutoff edge8Sr3[SnOSe3][CO3]: A Heteroanionic Nonlinear Optical Material Containing Planar π‐conjugated [CO3] and Heteroleptic [SnOSe3] Anionic Groups78Sr3[SnOSe3][CO3]: A Heteroanionic Nonlinear Optical Material Containing Planar π‐conjugated [CO3] and Heteroleptic [SnOSe3] Anionic Groups7CaBO2F: A novel deep-UV structural template with high nonlinear optical performance induced by electron delocalization25LiNaB6O9F2: A Promising UV NLO Crystal Having Fluorine‐Directed Optimal Performances and Double Interpenetrating 3[B6O9F2]∞ Networks33γ-P 4 S 3 I 2 : a new metal-free infrared second-order nonlinear optical crystal designed by polymorphism strategy17Fluorooxoborates: A precious treasure of deep-ultraviolet nonlinear optical materials24Ba2B9O13F4·BF4: first fluorooxoborate with unprecedented infinite [B18O26F8] tubes and deep-ultraviolet cutoff edge14Na2BaB12O18F4: A Mixed Alkali/Alkaline-Earth Metal Fluorooxoborate with Two Unprecedented Interpenetrating Three-Dimensional B–O/F Anionic Networks and a Short Ultraviolet Cutoff Edge9CaB2O2F4: A Novel [BOF2]∞-Based Structural Template with a Strong Second Harmonic Generation Response and Large Band Gap2BaMo3O10 Polymorphs with Tunable Symmetries and Properties3From Monofluorophosphates A2PO3F to Difluorophosphates APO2F2 (A = alkali metal): Design of a Potential Deep-Ultraviolet Nonlinear Optical Materials System with a Shortened Phase-Matching Wavelength41Breaking the Inherent Interarrangement of [B3O6] Clusters for Nonlinear Optics with Orbital Hybridization Enhancement142Deep‐Ultraviolet Transparent Mixed Metal Sulfamates with Enhanced Nonlinear Optical Properties and Birefringence11Deep‐Ultraviolet Transparent Mixed Metal Sulfamates with Enhanced Nonlinear Optical Properties and Birefringence75Fluorination Strategy Towards Symmetry Breaking of Boron‐centered Tetrahedron for Poly‐fluorinated Optical Crystals15Fluorination Strategy Towards Symmetry Breaking of Boron‐centered Tetrahedron for Poly‐fluorinated Optical Crystals70Fluorination strategy toward chemical and functional modification65K, Rb-hydroxyborates series with deep-ultraviolet KRbB 5 O 8 (OH) possessing moderate second harmonic generation response0NaB(OH) 3 CH 3 : a deep-ultraviolet optical crystal with unprecedented methyl-modified [B(OH) 3 CH 3 ] units6New antimony fluorooxoborates with strong birefringence and unprecedented structural characterisation19Recent advances in rational structure design for nonlinear optical crystals: leveraging advantageous templates153Spontaneous phase transition from 3D perovskite to 1D non-perovskite in CsPbBr 2.7 I 0.34Dual-Anion Strategy Induces Dual Enhancement Toward Ultrashort Phase-Matching Wavelength in Deep-UV Transparent d0 Transition Metal Oxyfluorides21Near-Infrared Light-Excited Quinolinium-Carbazole Small Molecule as Two-Photon Fluorescence Nucleic Acid Probe1Finite Temperature String with Order Parameter as Collective Variables for Molecular Crystal: A Case of Polymorphic Transformation of TNT under External Electric Field1[B3O3F4(OH)]2–: A Versatile Hydroxyfluorooxoborate Heteroanion Producing Compounds with Highly Tunable Optical Anisotropy19(C3N2H5)B3O3F2(OH)2: Realizing Large Birefringence via a Synergistic Effect between Anion F/OH‐Ratio Optimization and Cation Activation25From β-KB3O4F2 to α-KB3O4F2: Phase Transition-Directed Great Changes in Structure and Optical Anisotropy4Structural Evolution and Optical Properties of Hydroxyfluorooxoborates MM′2n-1[B3O3F4(OH)]n (M = K, Cs, and Rb; M′ = K, NH4, and Cs; n = 1, 2, and 3)12The New Paradigm of Ligand Substitution-Driven Enhancement of Anisotropy from SO4 Units in Short-Wavelength Region14Deep-ultraviolet sulfamate halides with halogen-centered secondary building units for enhanced optical anisotropy4KYSiSe 4 : A Rare-Earth Selenide Infrared Nonlinear Optical Crystal with Wide Infrared Transparency and Well-Balanced E g and SHG Response9[HgX 2 ] Linear Group Enabled Ultraviolet Birefringent Crystal RbHg 5 Br 11 with Strong Optical Anisotropy and Wide Bandgap12Ba 5 Zn 4 (B 3 O 6 ) 2 (B 12 O 24 ): A Borate with Edge-Sharing [BO 4 ] Tetrahedral Connection by Introducing Zn into β-BaB 2 O 42Topological structural chemistry of fluorooxoborates: From fundamental building blocks to macroscopic optical performance regulation0

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  1. Na 2 SrB 16 O 26 : a new borate with independent interpenetrating B–O networks and deep-ultraviolet cutoff edge

    Dalton Transactions · 2022-01-01

    Zhikang Chen, Kewang Zhang, Bei Zhang, Jun Zhang

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  2. Na 3 YB 8 O 15 : a new rare-earth borate with an infinite one-dimensional [B 8 O 15 ] ∞ chain and a short ultraviolet cutoff edge

    Dalton Transactions · 2022-01-01

    Jianlong Huang, Chengfa Wu, Jianbang Chen, Zhiyong Guo, Wenjuan Ma, Feng Yu, Bin Dai

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  3. Sr3[SnOSe3][CO3]: A Heteroanionic Nonlinear Optical Material Containing Planar π‐conjugated [CO3] and Heteroleptic [SnOSe3] Anionic Groups

    Angewandte Chemie International Edition · 2022-03-10

    Jiankang Wang, Yansong Cheng, Hongping Wu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongwei Yu

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  4. Sr3[SnOSe3][CO3]: A Heteroanionic Nonlinear Optical Material Containing Planar π‐conjugated [CO3] and Heteroleptic [SnOSe3] Anionic Groups

    Angewandte Chemie · 2022-03-10

    Jiankang Wang, Yansong Cheng, Hongping Wu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongwei Yu

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  5. CaBO2F: A novel deep-UV structural template with high nonlinear optical performance induced by electron delocalization

    Science China Materials · 2022-11-09

    Chenchen Tu, Abudukadi Tudi, Wenqi Jin, Congwei Xie, Zhihua Yang

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  6. LiNaB6O9F2: A Promising UV NLO Crystal Having Fluorine‐Directed Optimal Performances and Double Interpenetrating 3[B6O9F2]∞ Networks

    Advanced Optical Materials · 2022-12-03

    Xiaojing Li, Zilong Chen, Fuming Li, Fangfang Zhang, Zhihua Yang, Shilie Pan

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  7. γ-P 4 S 3 I 2 : a new metal-free infrared second-order nonlinear optical crystal designed by polymorphism strategy

    Inorganic Chemistry Frontiers · 2022-12-19

    Xin Lei Zhao, Chensheng Lin, Shunda Yang, Haotian Tian, Chao Wang, Tao Yan, Jian Zhang, Bingxuan Li, Ning Ye, Min Luo

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  8. Fluorooxoborates: A precious treasure of deep-ultraviolet nonlinear optical materials

    Chinese Journal of Structural Chemistry · 2023-02-03

    Hongkang Su, Ziting Yan, Xueling Hou, Min Zhang

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  9. Ba2B9O13F4·BF4: first fluorooxoborate with unprecedented infinite [B18O26F8] tubes and deep-ultraviolet cutoff edge

    Science China Chemistry · 2023-02-23

    Huan Pei, Xuefei Wang, Jie Zhang, Fangfang Zhang, Zhihua Yang, Shilie Pan

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  10. Na2BaB12O18F4: A Mixed Alkali/Alkaline-Earth Metal Fluorooxoborate with Two Unprecedented Interpenetrating Three-Dimensional B–O/F Anionic Networks and a Short Ultraviolet Cutoff Edge

    Inorganic Chemistry · 2023-03-16

    Tuohetijiang Baiheti, Abudukadi Tudi, Minqiang Gai, Xuping Wang, Shujuan Han

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  11. CaB2O2F4: A Novel [BOF2]∞-Based Structural Template with a Strong Second Harmonic Generation Response and Large Band Gap

    The Journal of Physical Chemistry C · 2023-03-22

    Evgenii Tikhonov, Huanhuan Cheng, Abudukadi Tudi, Congwei Xie, Shilie Pan, Zhihua Yang

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  12. BaMo3O10 Polymorphs with Tunable Symmetries and Properties

    Inorganic Chemistry · 2023-06-20

    Xiangyu Long, Ran An, Yan An Lv, Xueyan Wu, Miriding Mutailipu

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  13. From Monofluorophosphates A2PO3F to Difluorophosphates APO2F2 (A = alkali metal): Design of a Potential Deep-Ultraviolet Nonlinear Optical Materials System with a Shortened Phase-Matching Wavelength

    Chemistry of Materials · 2023-07-06

    Wenqi Jin, Congwei Xie, Xueling Hou, Meng Cheng, Evgenii Tikhonov, Mengfan Wu, Shilie Pan, Zhihua Yang

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  14. Breaking the Inherent Interarrangement of [B3O6] Clusters for Nonlinear Optics with Orbital Hybridization Enhancement

    Journal of the American Chemical Society · 2023-10-24

    Haotian Qiu, Fuming Li, Zhi Li, Zhihua Yang, Shilie Pan, Miriding Mutailipu

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  15. Deep‐Ultraviolet Transparent Mixed Metal Sulfamates with Enhanced Nonlinear Optical Properties and Birefringence

    Angewandte Chemie · 2023-11-17

    Xuefei Wang, Xudong Leng, Yunseung Kuk, Jihyun Lee, Qun Jing, Kang Min Ok

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  16. Deep‐Ultraviolet Transparent Mixed Metal Sulfamates with Enhanced Nonlinear Optical Properties and Birefringence

    Angewandte Chemie International Edition · 2023-11-17

    Xuefei Wang, Xudong Leng, Yunseung Kuk, Jihyun Lee, Qun Jing, Kang Min Ok

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  17. Fluorination Strategy Towards Symmetry Breaking of Boron‐centered Tetrahedron for Poly‐fluorinated Optical Crystals

    Angewandte Chemie · 2023-11-27

    Haotian Qiu, Fuming Li, Congcong Jin, Zhihua Yang, Junjie Li, Shilie Pan, Miriding Mutailipu

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  18. Fluorination Strategy Towards Symmetry Breaking of Boron‐centered Tetrahedron for Poly‐fluorinated Optical Crystals

    Angewandte Chemie International Edition · 2023-11-27

    Haotian Qiu, Fuming Li, Congcong Jin, Zhihua Yang, Junjie Li, Shilie Pan, Miriding Mutailipu

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  19. Fluorination strategy toward chemical and functional modification

    Fundamental Research · 2023-12-19

    Haotian Qiu, Shilie Pan, Miriding Mutailipu

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  20. K, Rb-hydroxyborates series with deep-ultraviolet KRbB 5 O 8 (OH) possessing moderate second harmonic generation response

    New Journal of Chemistry · 2024-01-01

    Aihaimaitijiang Ababaikeri, Xueting Pan, Xueling Hou, Jian Wei Han

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  21. NaB(OH) 3 CH 3 : a deep-ultraviolet optical crystal with unprecedented methyl-modified [B(OH) 3 CH 3 ] units

    Journal of Materials Chemistry C · 2024-01-01

    Chenhui Hu, Huimin Li, Jian Wei Han, Xueling Hou, Zhihua Yang, Shilie Pan

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  22. New antimony fluorooxoborates with strong birefringence and unprecedented structural characterisation

    Chemical Communications · 2024-01-01

    Chenhui Hu, Mengfan Wu, Jian Wei Han, Zhihua Yang, Shujuan Han, Shilie Pan

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

    Chemical Society Reviews · 2024-01-01

    Ziting Yan, Jinbin Fan, Shilie Pan, Min Zhang

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  24. Spontaneous phase transition from 3D perovskite to 1D non-perovskite in CsPbBr 2.7 I 0.3

    CrystEngComm · 2024-01-01

    Meng Shen, Yulin Zhang, Bingliang Cheng, Wenjuan Ma, Xiaole Huang, Lei Zhang, Zhifang Chai, Wenwen Lin

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  25. Dual-Anion Strategy Induces Dual Enhancement Toward Ultrashort Phase-Matching Wavelength in Deep-UV Transparent d0 Transition Metal Oxyfluorides

    ACS Materials Letters · 2024-02-23

    Dongdong Chu, Kewang Zhang, Congwei Xie, Keith T. Butler, Zhihua Yang, Shilie Pan

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  26. Near-Infrared Light-Excited Quinolinium-Carbazole Small Molecule as Two-Photon Fluorescence Nucleic Acid Probe

    Molecules · 2024-02-29

    Yanqing Sun, Bi Wu, Xinyu Liu, Lixin Liu, Shujing Zhou, Yanru Feng

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  27. Finite Temperature String with Order Parameter as Collective Variables for Molecular Crystal: A Case of Polymorphic Transformation of TNT under External Electric Field

    Molecules · 2024-05-29

    Shi-Jie Niu, Fu‐de Ren

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  28. [B3O3F4(OH)]2–: A Versatile Hydroxyfluorooxoborate Heteroanion Producing Compounds with Highly Tunable Optical Anisotropy

    Chemistry of Materials · 2024-07-09

    Zeen Li, Congcong Jin, Changyou Liu, Juanjuan Lu, Zhihua Yang, Shilie Pan, Miriding Mutailipu

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  29. (C3N2H5)B3O3F2(OH)2: Realizing Large Birefringence via a Synergistic Effect between Anion F/OH‐Ratio Optimization and Cation Activation

    Small Structures · 2024-07-28

    Chenhui Hu, Chunjie Shen, Huan Zhou, Jian Wei Han, Zhihua Yang, Kenneth Reinhard Poeppelmeier, Feng Zhang, Shilie Pan

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  30. From β-KB3O4F2 to α-KB3O4F2: Phase Transition-Directed Great Changes in Structure and Optical Anisotropy

    Inorganic Chemistry · 2024-11-06

    Ruyi Niu, Qing‐Yu Liu, Minqiang Gai, Zhihua Yang, Shujuan Han, Shilie Pan

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  31. Structural Evolution and Optical Properties of Hydroxyfluorooxoborates MM′2n-1[B3O3F4(OH)]n (M = K, Cs, and Rb; M′ = K, NH4, and Cs; n = 1, 2, and 3)

    Chemistry of Materials · 2024-11-25

    Huan Pei, Luyong Zhang, Huanhuan Cheng, Shi‐Bin Wang, Zhihua Yang, Fangfang Zhang, Shilie Pan

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  32. The New Paradigm of Ligand Substitution-Driven Enhancement of Anisotropy from SO4 Units in Short-Wavelength Region

    ACS Central Science · 2024-11-27

    Chenhui Hu, Huimin Li, Guangsheng Xu, Zhihua Yang, Jian Wei Han, Shilie Pan

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  33. Deep-ultraviolet sulfamate halides with halogen-centered secondary building units for enhanced optical anisotropy

    Inorganic Chemistry Frontiers · 2025-01-01

    Xuefei Wang, Qingwen Zhu, Yunseung Kuk, H. W. Chen, Qi Wu, Qun Jing, Kang Min Ok

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  34. KYSiSe 4 : A Rare-Earth Selenide Infrared Nonlinear Optical Crystal with Wide Infrared Transparency and Well-Balanced E g and SHG Response

    Inorganic Chemistry · 2025-06-16

    Haixia Wang, Wangfei Che, Hongbo Zhang, Xinfeng Guo, Limei Xiao, Yakun Tang, Guangmao Li

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  35. [HgX 2 ] Linear Group Enabled Ultraviolet Birefringent Crystal RbHg 5 Br 11 with Strong Optical Anisotropy and Wide Bandgap

    Advanced Science · 2025-09-09

    Yingtai Du, Wangfei Che, Yunfei Shi, Juanjuan Lu, Xiaodong Zhou, Ting Liu, Shilie Pan, Junjie Li

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  36. Ba 5 Zn 4 (B 3 O 6 ) 2 (B 12 O 24 ): A Borate with Edge-Sharing [BO 4 ] Tetrahedral Connection by Introducing Zn into β-BaB 2 O 4

    Inorganic Chemistry · 2026-02-05

    Kaitong Liu, Yuan Rao, Zhaoxue Li, Shihang Zhou, Zhizhong Zhang, Yanhui Zhang

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  37. Topological structural chemistry of fluorooxoborates: From fundamental building blocks to macroscopic optical performance regulation

    Coordination Chemistry Reviews · 2026-05-20

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