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RESEARCH PAPER · Chemical Communications · 2020

(NH 4 ) 3 [B(OH) 3 ] 2 (COOH) 3 : a graphite-like UV nonlinear optical material with a large birefringence via structural optimization

Yalan Deng, Lei Wang, Yuwei Ge, Ling Huang, Daojiang Gao, Jian Bi, Guohong Zou

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(NH 4 ) 3 [B(OH) 3 ] 2 (COOH) 3 : a graphite-like UV nonlinear optical material with a large birefringence via structural optimizationOriginalThe First Positive Uniaxial Cyanurate Crystals Containing a Crown-like Anionic Group Arrangement and Strengthened Optical Anisotropy17Tin Chloride Sulfates A3Sn2(SO4)3–xCl1+2x (A = K, Rb, Cs; x = 0, 1) as Multifunctional Optical Materials33Linear and Nonlinear Optical Properties of Centrosymmetric Sb 4 O 5 SO 4 and Noncentrosymmetric Sb 4 O 4 (SO 4 )(OH) 2 Induced by Lone Pair Stereoactivity55Noncentrosymmetric Rb3(COOH)3(H3BO3)2 vs Centrosymmetric Cs3(COOH)3(H3BO3)214Designing A New Infrared Nonlinear Optical Material, β‐BaGa 2 Se 4 Inspired by the Phase Transition of the BaB 2 O 4 (BBO) Crystal75Designing A New Infrared Nonlinear Optical Material, β‐BaGa2Se4 Inspired by the Phase Transition of the BaB2O4 (BBO) Crystal13(N 2 H 6 )[HPO 3 F] 2 : maximizing the optical anisotropy of deep-ultraviolet fluorophosphates33A flexible functional module to regulate ultraviolet optical nonlinearity for achieving a balance between a second-harmonic generation response and birefringence43KF·B(OH) 3 : a KBBF-type material with large birefringence and remarkable deep-ultraviolet transparency33Na 3 B 6 O 10 (HCOO): an ultraviolet nonlinear optical sodium borate-formate33Modelling the DFT structural and reactivity study of feverfew and evaluation of its potential antiviral activity against COVID-19 using molecular docking and MD simulations52Promising Deep‐Ultraviolet Birefringent Materials via Rational Design and Assembly of Planar π‐Conjugated [B(OH)3] and [B3O3(OH)3] Functional Species6Promising Deep‐Ultraviolet Birefringent Materials via Rational Design and Assembly of Planar π‐Conjugated [B(OH)3] and [B3O3(OH)3] Functional Species83Yin–Yang Complementarity Strategy Achieving Giant Optical Anisotropy in a Metal-free Birefringent Material C(NH2)3(HC4O4)14Two Carboxylate-Cyanurates with Strong Optical Anisotropy and Large Band Gaps6Hg3(SeO3)2(SO4): A UV Nonlinear Optical Mercury Selenite Sulfate Constructed by Neat [Hg6O8(SeO3)4]∞ Layers and SO4 Tetrahedra27Alkali-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 characterization0Crystal clear: unveiling giant birefringence in organic–inorganic cocrystals33Exploring short-wavelength birefringent crystals via triggering cooperative arrangement between different π-conjugated groups8Enhancement of Birefringence in π-Conjugated Oxyfluorides Achieved via van der Waals Layered Structural Optimization10Two Mixed Alkali Metal Isocyanurates with Wide Band Gap and Giant Birefringence2Noncentrosymmetric Crystal [C10H8NO2]2SiF6·H2O with Large Birefringence12Comparative study of alpha, beta, and omicron spike protein by computing the IR/Raman frequencies and UV–vis adsorption – A computational analysis through DFT1[C(NH 2 ) 3 ] 2 [C 2 H 5 (C 2 O 4 )]Cl: rational design of a metal-free UV birefringent crystal through the synergistic assembly of three distinct motifs5Synergistic engineering of ultraviolet metal-free crystals with exceptional birefringence via pyridine-derived dimers14Lithium Borate-Squarate: An Organic–Inorganic Groups-Mixed Nonlinear Optical Crystal with Large Birefringence4A novel metal-free crystal demonstrating superior birefringence attributed to the synergistic interaction of dual π-conjugated units8From (C12H9N2)2TeBr6·2H2O to (C12H9N2)2TeBr6: Dehydration-Driven Crystal Reorganization for Birefringence Optimization6Chiral-Unit-Driven Short-Wave Ultraviolet Nonlinear Optical Acetates with Balanced Overall Optical Properties3Significant Enhancement of Birefringence Resulting from the Introduction of [BO 2 (OH)] Groups into Borosulfates0Assembly of Functional Units for Constructing an Ultraviolet-Transparent Nonlinear Optical Mixed Alkaline Metal Borate-Formate1

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

    Crystal Growth & Design · 2021-02-25

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

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  2. Tin Chloride Sulfates A3Sn2(SO4)3–xCl1+2x (A = K, Rb, Cs; x = 0, 1) as Multifunctional Optical Materials

    Inorganic Chemistry · 2021-05-14

    Yuwei Ge, Qiang Wang, Fei Yang, Ling Huang, Daojiang Gao, Jian Bi, Guohong Zou

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  3. Linear and Nonlinear Optical Properties of Centrosymmetric Sb 4 O 5 SO 4 and Noncentrosymmetric Sb 4 O 4 (SO 4 )(OH) 2 Induced by Lone Pair Stereoactivity

    Inorganic Chemistry · 2021-07-21

    Qi Wei, Kui Wang, Chao He, Li Wei, Xiaofei Li, Shuo Zhang, Xing‐Tao An, Jinhua Li, Guo‐Ming Wang

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  4. Noncentrosymmetric Rb3(COOH)3(H3BO3)2 vs Centrosymmetric Cs3(COOH)3(H3BO3)2

    Crystal Growth & Design · 2021-09-17

    Yunqiao Guo, Die Zhang, Ting Zheng, Ling Huang, Daojiang Gao, Jian Bi, Guohong Zou

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  5. Designing A New Infrared Nonlinear Optical Material, β‐BaGa 2 Se 4 Inspired by the Phase Transition of the BaB 2 O 4 (BBO) Crystal

    Angewandte Chemie International Edition · 2021-11-16

    Yu-Jie Zhang, Qiang Bian, Hongping Wu, Hongwei Yu, Zhanggui Hu, Jiyang Wang, Yicheng Wu

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  6. Designing A New Infrared Nonlinear Optical Material, β‐BaGa2Se4 Inspired by the Phase Transition of the BaB2O4 (BBO) Crystal

    Angewandte Chemie · 2021-11-16

    Yu-Jie Zhang, Qiang Bian, Hongping Wu, Hongwei Yu, Zhanggui Hu, Jiyang Wang, Yicheng Wu

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  7. (N 2 H 6 )[HPO 3 F] 2 : maximizing the optical anisotropy of deep-ultraviolet fluorophosphates

    Chemical Communications · 2022-01-01

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

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

    Chemical Science · 2022-01-01

    Liling Cao, Haotian Tian, Donghong Lin, Chensheng Lin, Feng Xu, Yinglei Han, Tao Yan, Jindong Chen, Bingxuan Li, Ning Ye, Min Luo

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

    Chemical Communications · 2022-01-01

    Yang Li, Xinglong Chen, Kang Min Ok

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  10. Na 3 B 6 O 10 (HCOO): an ultraviolet nonlinear optical sodium borate-formate

    Inorganic Chemistry Frontiers · 2022-01-01

    Yinan Zhang, Qing-Fen Li, Bing-Ben Chen, You‐Zhao Lan, Jian‐Wen Cheng, Guo‐Yu Yang

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  11. Modelling the DFT structural and reactivity study of feverfew and evaluation of its potential antiviral activity against COVID-19 using molecular docking and MD simulations

    Chemical Papers · 2022-01-15

    Shradha Lakhera, Kamal Devlal, Arabinda Ghosh, Papia Chowdhury, Meenakshi M. Rana

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  12. Promising Deep‐Ultraviolet Birefringent Materials via Rational Design and Assembly of Planar π‐Conjugated [B(OH)3] and [B3O3(OH)3] Functional Species

    Angewandte Chemie · 2022-04-29

    Jiahao Jiao, Meng Cheng, Rong Yang, Yuchen Yan, Min Zhang, Fangfang Zhang, Zhihua Yang, Shilie Pan

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  13. Promising Deep‐Ultraviolet Birefringent Materials via Rational Design and Assembly of Planar π‐Conjugated [B(OH)3] and [B3O3(OH)3] Functional Species

    Angewandte Chemie International Edition · 2022-04-29

    Jiahao Jiao, Meng Cheng, Rong Yang, Yuchen Yan, Min Zhang, Fangfang Zhang, Zhihua Yang, Shilie Pan

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  14. Yin–Yang Complementarity Strategy Achieving Giant Optical Anisotropy in a Metal-free Birefringent Material C(NH2)3(HC4O4)

    Crystal Growth & Design · 2022-06-10

    Hongmei Wang, Qiang Wang, Qin Wang, Liling Cao, Ling Huang, Daojiang Gao, Jian Bi, Guohong Zou

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  15. Two Carboxylate-Cyanurates with Strong Optical Anisotropy and Large Band Gaps

    Inorganic Chemistry · 2023-01-23

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

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  16. Hg3(SeO3)2(SO4): A UV Nonlinear Optical Mercury Selenite Sulfate Constructed by Neat [Hg6O8(SeO3)4]∞ Layers and SO4 Tetrahedra

    Inorganic Chemistry · 2023-05-31

    Jinxuan Ren, Yuqi Chen, Liying Ren, Yuqiao Zhou, Xuehua Dong, Daojiang Gao, Ling Huang, Liling Cao, Ning Ye

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  17. 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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  18. Crystal clear: unveiling giant birefringence in organic–inorganic cocrystals

    Chemical Science · 2024-01-01

    Yang Li, Kang Min Ok

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  19. Exploring short-wavelength birefringent crystals via triggering cooperative arrangement between different π-conjugated groups

    Chemical Communications · 2024-01-01

    Xiao Wang, Tingwen Han, Kenneth Reinhard Poeppelmeier, Xueling Hou, Shilie Pan, Fangfang Zhang

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  20. Enhancement of Birefringence in π-Conjugated Oxyfluorides Achieved via van der Waals Layered Structural Optimization

    Crystal Growth & Design · 2024-04-01

    Wenyao Zhang, Zichen Li, Xudong Leng, Qun Jing, Qiao Wen

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  21. Two Mixed Alkali Metal Isocyanurates with Wide Band Gap and Giant Birefringence

    Crystal Growth & Design · 2024-05-15

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

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  22. 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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  23. Comparative study of alpha, beta, and omicron spike protein by computing the IR/Raman frequencies and UV–vis adsorption – A computational analysis through DFT

    Microbial Pathogenesis · 2024-12-05

    Ravi Kumar Trivedi, P L Ashiq, Nandini Garg, Prafulla Kumar Jha, Trilochan Gadly, Brahmananda Chakraborty

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  24. [C(NH 2 ) 3 ] 2 [C 2 H 5 (C 2 O 4 )]Cl: rational design of a metal-free UV birefringent crystal through the synergistic assembly of three distinct motifs

    Chemical Communications · 2025-01-01

    Yu-Ming Pan, Xinyou An, Zhi Gang Fang

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  25. Synergistic engineering of ultraviolet metal-free crystals with exceptional birefringence via pyridine-derived dimers

    Chemical Science · 2025-01-01

    Jiachen Lu, Kang Min Ok

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  26. Lithium Borate-Squarate: An Organic–Inorganic Groups-Mixed Nonlinear Optical Crystal with Large Birefringence

    Inorganic Chemistry · 2025-02-18

    Zhiyong Xue, Xin Wen, Yuchen Yan, Jindong Chen, Zhanggui Hu, Jiyang Wang, Ning Ye, Guang Peng

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  27. A novel metal-free crystal demonstrating superior birefringence attributed to the synergistic interaction of dual π-conjugated units

    Science China Materials · 2025-07-07

    Die-Xue Yang, Ru‐Ling Tang, Yi‐Lei Lv, Bing-Wei Miao, Wenlong Liu, Sheng‐Ping Guo

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  28. From (C12H9N2)2TeBr6·2H2O to (C12H9N2)2TeBr6: Dehydration-Driven Crystal Reorganization for Birefringence Optimization

    Inorganic Chemistry · 2025-09-25

    Shiyi Wang, Yingzi Zhang, Yu Yan, Xuehua Dong, Liling Cao, Ling Huang, Guohong Zou

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  29. Chiral-Unit-Driven Short-Wave Ultraviolet Nonlinear Optical Acetates with Balanced Overall Optical Properties

    The Journal of Physical Chemistry Letters · 2025-12-26

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  30. Significant Enhancement of Birefringence Resulting from the Introduction of [BO 2 (OH)] Groups into Borosulfates

    Chemistry of Materials · 2026-03-04

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  31. Assembly of Functional Units for Constructing an Ultraviolet-Transparent Nonlinear Optical Mixed Alkaline Metal Borate-Formate

    Inorganic Chemistry · 2026-05-22

    Mei-Jun Zou, Dong-Ling Liu, Xiao-Liang Zhou, Yi-Nan Zhang, You‐Zhao Lan, Jian‐Wen Cheng

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