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RESEARCH PAPER · Chemistry of Materials · 2019

Two Polar Molybdenum(VI) Iodates(V) with Large Second-Harmonic Generation Responses

Yahui Li, Guopeng Han, Hongwei Yu, Hao Li, Zhihua Yang, Shilie Pan

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Two Polar Molybdenum(VI) Iodates(V) with Large Second-Harmonic Generation ResponsesOriginalLiMg(IO 3 ) 3 : an excellent SHG material designed by single-site aliovalent substitution68SrI3O9H: A new alkaline earth metal iodate with two different anionic units using mild aqua-solution method8LiMII(IO3)3 (MII=Zn and Cd): Two Promising Nonlinear Optical Crystals Derived from a Tunable Structure Model of α‐LiIO398LiMII(IO3)3 (MII=Zn and Cd): Two Promising Nonlinear Optical Crystals Derived from a Tunable Structure Model of α‐LiIO337Histidinium‐Driven Chirality Control of Self‐Assembled Hybrid Molybdenum Oxyfluorides24(NH4)Bi2(IO3)2F5: An Unusual Ammonium‐Containing Metal Iodate Fluoride Showing Strong Second Harmonic Generation Response and Thermochromic Behavior92(NH4)Bi2(IO3)2F5: An Unusual Ammonium‐Containing Metal Iodate Fluoride Showing Strong Second Harmonic Generation Response and Thermochromic Behavior11Synthesis, structure, and third-harmonic generation measurements of a mixed alkali metal iodate, KLi2(IO3)323[O 2 Pb 3 ] 2 (BO 3 )I: a new lead borate iodide with 1∞[O 2 Pb 3 ] double chains6Bi 4 O(I 3 O 10 )(IO 3 ) 3 (SeO 4 ): trimeric condensation of IO 4 3− monomers into the I 3 O 10 5− polymeric anion observed in a three-component mixed-anion NLO material20CsVO2F(IO3): An Excellent SHG Material Featuring an Unprecedented 3D [VO2F(IO3)]− Anionic Framework132CsVO2F(IO3): An Excellent SHG Material Featuring an Unprecedented 3D [VO2F(IO3)]− Anionic Framework22Structural Diversity of Molybdate Iodate and Fluoromolybdate: Syntheses, Structures, and Calculations on Na3(MoO4)(IO3) and Na3Cs(MoO2F4)218K2Na(IO3)2(I3O8) with Strong Second Harmonic Generation Response Activated by Two Types of Isolated Iodate Anions46Ba(IO3)F: An Alkaline-Earth-Metal Iodate Fluoride Crystal with Large Band Gap and Birefringence24Ba2[MoO3(OH)(IO3)2]IO3: A Promising SHG Material Featuring a Λ-Shaped Functional Motif Achieved by Universal Mono-Site Substitution50From Ag2Zr(IO3)6 to LaZr(IO3)5F2: A Case of Constructing Wide‐band‐gap Birefringent Materials through Chemical Cosubstitution11Ba(MoO 2 F) 2 (QO 3 ) 2 (Q = Se, Te): Partial Fluorination of MoO 6 Octahedra Enabling Two Polar Solids with Strong and Phase Matchable SHG Response69KSnI 3 ⋅ H 2 O: A New Compound with One‐Dimensional SnI 3 Chains of Pyramidal SnI 5 Polyhedra2Crystal growth, characterization and theoretical studies of the noncentrosymmetric compound Al3(IO3)9·(HIO3)6·18H2O4[GaF(H 2 O)][IO 3 F]: a promising NLO material obtained by anisotropic polycation substitution42A review on the recently developed promising infrared nonlinear optical materials103Ba 2 [FeF 4 (IO 3 ) 2 ]IO 3 : a promising nonlinear optical material achieved by chemical-tailoring-induced structure evolution8Barium fluoroiodate crystals with a large band gap and birefringence22From Ce(IO 3 ) 4 to CeF 2 (IO 3 ) 2 : fluorinated homovalent substitution simultaneously enhances SHG response and bandgap for mid-infrared nonlinear optics26SrTi(IO 3 ) 6 ·2H 2 O and SrSn(IO 3 ) 6 : distinct arrangements of lone pair electrons leading to large birefringences11Two bismuth iodate sulfates with enhanced optical anisotropy17CsZrF4(IO3): The First Polar Zirconium Iodate with cis-[ZrO2F6] Polyhedra Inducing Optimized Balance of Large Band Gap and Second Harmonic Generation47A2MoO2F3(IO2F2) (A = Rb, Cs): Strong Nonlinear Optical Responses and Enlarged Band Gaps through Fluorine Incorporation50Synthesis, Structure, Characterization, and Calculation of a Noncentrosymmetric Fluorine-Containing Indium Iodate, Ba[InF3(IO3)2]10An Effective Strategy for Designing Nonlinear Optical Crystals by Combining the Structure‐Directing Property of Oxyfluorides with Chemical Substitution73An Effective Strategy for Designing Nonlinear Optical Crystals by Combining the Structure‐Directing Property of Oxyfluorides with Chemical Substitution10AMoO3(IO3) (A = Na and K): Two promising optical materials via properly assembling the Λ-shaped basic building units19Structural, Electronic, Mechanical, Linear and Nonlinear Optical, and Piezoelectric Properties of CsIO\(_3\) Materials from Ab Initio Study0A new I 3 O 9 3− group constructed from IO 3 − and IO 5 5− anion units in Cs 3 [Ga 2 O(I 3 O 9 )(IO 3 ) 4 (HIO 3 )]4Ba2B13O19(OH)5·5H2O: A promising nonlinear optical material with a unique 2[B13O19(OH)5]∞ two-dimensional layer9KCs2Pb2(HCOO)2Cl5: A Lead Formate with Strong Second-Harmonic-Generation Response Obtained by an Anionic Substitution3Ba 2 [WO 3 F(IO 3 )][WO 3 F 2 ]: the first polar fluorinated tungsten iodate featuring a direct W–O–I bond7Ba 4 Ag 5 (IO 3 ) 6 (I 3 O 8 ) 3 (I 4 O 11 ) 2 : a nonlinear optical crystal containing two types of polyiodate anions16BaI 3 O 9 H: a new alkaline-earth metal hydroxy iodate with two groups2CaCe(IO 3 ) 3 (IO 3 F)F: a promising nonlinear optical material containing both IO 3 − and IO 3 F 2− anions22Unprecedented boat-shaped [Mo 2 O 5 (IO 3 ) 4 ] 2− polyanions induced a strong second harmonic generation response31Wide bandgaps and strong SHG responses of hetero-oxyfluorides by dual-fluorination-directed bandgap engineering28HgSO4: An excellent mid-infrared sulfate nonlinear optical crystal with wide band gap and strong second harmonic generation response19One-Side Capping in Two-Dimensional WO 3 -Type Materials Leading to Strong Second-Harmonic Response29Synthesis, crystal structure and optical properties of the first bromine-containing iodate: Pb2IO3Br30A Vanadium‐Based Fluoroxide Cathode Material for Lithium‐Ion Storage with High Energy Density32MIO 3 F (M = Co and Ni): Magnetic Iodate Fluorides with Zigzag Chains16C(NH2)3(I3O8)(HI3O8)(H2I2O6)(HIO3)4·3H2O: An Unprecedented Asymmetric Guanidinium Polyiodate with a Strong Second-Harmonic-Generation Response and a Wide Band Gap16Noncentrosymmetric γ-Cs2I4O11 Obtained from IO4 Polyhedral Rearrangements in the Centrosymmetric β-Phase16Alignment of Λ-Shaped Basic Building Units to Construct One New KMoO3(IO3) Polar Polymorph11Designing a Strong Second-Harmonic Generation Polar Iodate by the Structure-Directing Properties of the “Tumbler-like” [Zn(IO3)(I2O5(OH))] Polyanions20(NH 4 ) 2 (I 5 O 12 )(IO 3 ) and K 1.03 (NH 4 ) 0.97 (I 5 O 12 )(IO 3 ): Mixed‐Valent Polyiodates with Unprecedented I 5 O 12 − Unit Exhibiting Strong Second‐Harmonic Generation Responses and Giant Birefringence22A survey of stereoactive oxysalts for linear and nonlinear optical applications40NaMoO 3 (IO 3 )(H 2 O): water molecule introduction induces strong second harmonic generation response, widened band gap and large anisotropy8Secondary‐Bond‐Driven Construction of a Polar Material Exhibiting Strong Broad‐Spectrum Second‐Harmonic Generation and Large Birefringence9Secondary‐Bond‐Driven Construction of a Polar Material Exhibiting Strong Broad‐Spectrum Second‐Harmonic Generation and Large Birefringence41Ba 2 Ga 2 F 6 (IO 3 )(PO 4 ): the first fluoride-containing iodate-phosphate with a 1D [Ga 2 F 6 (IO 3 )(PO 4 )] 4− helix chain2Novel polar oxides with exceptional pyroelectric performance: doping-induced polar transition in Ba 6 Pb 3.2 (PO 4 ) 6 Cl 21C(NH2)3MoO3(IO3): A Molybdenyl Iodate with Giant Birefringence Designed via a Cation–Anion Synergetic Interaction Strategy36[C(NH2)3]6Mo7O24: A Guanidinium Molybdate as a UV Nonlinear Optical Crystal with Large Birefringence17Lanthanide Contraction Eliminates Disorder while Holding Robust Second Harmonic Generation in a Series of Polyiodates13Rational Design of Novel Polar Nonlinear Optical Materials in Alkali Metal Rare Earth Iodates5Cationic Modification in Hybrid Iodates: A Pathway to Superior Performance12Ce-centered polyhedral arrangement pattern and optical performance in Ce-based nonlinear optical materials3First-principles study of strain and electric field tuning of the electronic structure and thermoelectric response in LiXYO6 double perovskites (X = Nb, ta; Y = Mo, W)1LiMn(IO 3 ) 3 : A Noncentrosymmetric Iodate Synthesized by Polyhedral Volume Ratio Modulation0

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  1. LiMg(IO 3 ) 3 : an excellent SHG material designed by single-site aliovalent substitution

    Chemical Science · 2019-01-01

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  2. SrI3O9H: A new alkaline earth metal iodate with two different anionic units using mild aqua-solution method

    Solid State Sciences · 2019-08-22

    Huimin Song, Naizheng Wang, Yunfei Li, Wang Liu, Zheshuai Lin, Jiyong Yao, Guochun Zhang

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  3. LiMII(IO3)3 (MII=Zn and Cd): Two Promising Nonlinear Optical Crystals Derived from a Tunable Structure Model of α‐LiIO3

    Angewandte Chemie International Edition · 2019-09-20

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  4. LiMII(IO3)3 (MII=Zn and Cd): Two Promising Nonlinear Optical Crystals Derived from a Tunable Structure Model of α‐LiIO3

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  5. Histidinium‐Driven Chirality Control of Self‐Assembled Hybrid Molybdenum Oxyfluorides

    Chemistry - A European Journal · 2019-10-09

    Hongil Jo, Kang Min Ok

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  6. (NH4)Bi2(IO3)2F5: An Unusual Ammonium‐Containing Metal Iodate Fluoride Showing Strong Second Harmonic Generation Response and Thermochromic Behavior

    Angewandte Chemie International Edition · 2019-12-09

    Huixin Fan, Chensheng Lin, Kaichuang Chen, Guang Peng, Bingxuan Li, Ge Zhang, Xifa Long, Ning Ye

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  7. (NH4)Bi2(IO3)2F5: An Unusual Ammonium‐Containing Metal Iodate Fluoride Showing Strong Second Harmonic Generation Response and Thermochromic Behavior

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  8. Synthesis, structure, and third-harmonic generation measurements of a mixed alkali metal iodate, KLi2(IO3)3

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  9. [O 2 Pb 3 ] 2 (BO 3 )I: a new lead borate iodide with 1∞[O 2 Pb 3 ] double chains

    Dalton Transactions · 2020-01-01

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  10. Bi 4 O(I 3 O 10 )(IO 3 ) 3 (SeO 4 ): trimeric condensation of IO 4 3− monomers into the I 3 O 10 5− polymeric anion observed in a three-component mixed-anion NLO material

    Dalton Transactions · 2020-01-01

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  11. CsVO2F(IO3): An Excellent SHG Material Featuring an Unprecedented 3D [VO2F(IO3)]− Anionic Framework

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  12. CsVO2F(IO3): An Excellent SHG Material Featuring an Unprecedented 3D [VO2F(IO3)]− Anionic Framework

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  13. Structural Diversity of Molybdate Iodate and Fluoromolybdate: Syntheses, Structures, and Calculations on Na3(MoO4)(IO3) and Na3Cs(MoO2F4)2

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  14. K2Na(IO3)2(I3O8) with Strong Second Harmonic Generation Response Activated by Two Types of Isolated Iodate Anions

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  15. Ba(IO3)F: An Alkaline-Earth-Metal Iodate Fluoride Crystal with Large Band Gap and Birefringence

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  16. Ba2[MoO3(OH)(IO3)2]IO3: A Promising SHG Material Featuring a Λ-Shaped Functional Motif Achieved by Universal Mono-Site Substitution

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  17. From Ag2Zr(IO3)6 to LaZr(IO3)5F2: A Case of Constructing Wide‐band‐gap Birefringent Materials through Chemical Cosubstitution

    Chemistry - An Asian Journal · 2020-09-25

    Fei‐Fei Mao, Jiadi Liu, Jinyu Hu, Hua Wu

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  18. Ba(MoO 2 F) 2 (QO 3 ) 2 (Q = Se, Te): Partial Fluorination of MoO 6 Octahedra Enabling Two Polar Solids with Strong and Phase Matchable SHG Response

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  19. KSnI 3 ⋅ H 2 O: A New Compound with One‐Dimensional SnI 3 Chains of Pyramidal SnI 5 Polyhedra

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  20. Crystal growth, characterization and theoretical studies of the noncentrosymmetric compound Al3(IO3)9·(HIO3)6·18H2O

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  21. [GaF(H 2 O)][IO 3 F]: a promising NLO material obtained by anisotropic polycation substitution

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  22. A review on the recently developed promising infrared nonlinear optical materials

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  23. Ba 2 [FeF 4 (IO 3 ) 2 ]IO 3 : a promising nonlinear optical material achieved by chemical-tailoring-induced structure evolution

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  24. Barium fluoroiodate crystals with a large band gap and birefringence

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  25. From Ce(IO 3 ) 4 to CeF 2 (IO 3 ) 2 : fluorinated homovalent substitution simultaneously enhances SHG response and bandgap for mid-infrared nonlinear optics

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  26. SrTi(IO 3 ) 6 ·2H 2 O and SrSn(IO 3 ) 6 : distinct arrangements of lone pair electrons leading to large birefringences

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  27. Two bismuth iodate sulfates with enhanced optical anisotropy

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  28. CsZrF4(IO3): The First Polar Zirconium Iodate with cis-[ZrO2F6] Polyhedra Inducing Optimized Balance of Large Band Gap and Second Harmonic Generation

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  29. A2MoO2F3(IO2F2) (A = Rb, Cs): Strong Nonlinear Optical Responses and Enlarged Band Gaps through Fluorine Incorporation

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  30. Synthesis, Structure, Characterization, and Calculation of a Noncentrosymmetric Fluorine-Containing Indium Iodate, Ba[InF3(IO3)2]

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  31. An Effective Strategy for Designing Nonlinear Optical Crystals by Combining the Structure‐Directing Property of Oxyfluorides with Chemical Substitution

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  32. An Effective Strategy for Designing Nonlinear Optical Crystals by Combining the Structure‐Directing Property of Oxyfluorides with Chemical Substitution

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  33. AMoO3(IO3) (A = Na and K): Two promising optical materials via properly assembling the Λ-shaped basic building units

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  34. Structural, Electronic, Mechanical, Linear and Nonlinear Optical, and Piezoelectric Properties of CsIO\(_3\) Materials from Ab Initio Study

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  35. A new I 3 O 9 3− group constructed from IO 3 − and IO 5 5− anion units in Cs 3 [Ga 2 O(I 3 O 9 )(IO 3 ) 4 (HIO 3 )]

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  36. Ba2B13O19(OH)5·5H2O: A promising nonlinear optical material with a unique 2[B13O19(OH)5]∞ two-dimensional layer

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  37. KCs2Pb2(HCOO)2Cl5: A Lead Formate with Strong Second-Harmonic-Generation Response Obtained by an Anionic Substitution

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  38. Ba 2 [WO 3 F(IO 3 )][WO 3 F 2 ]: the first polar fluorinated tungsten iodate featuring a direct W–O–I bond

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  39. Ba 4 Ag 5 (IO 3 ) 6 (I 3 O 8 ) 3 (I 4 O 11 ) 2 : a nonlinear optical crystal containing two types of polyiodate anions

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  40. BaI 3 O 9 H: a new alkaline-earth metal hydroxy iodate with two groups

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  41. CaCe(IO 3 ) 3 (IO 3 F)F: a promising nonlinear optical material containing both IO 3 − and IO 3 F 2− anions

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  42. Unprecedented boat-shaped [Mo 2 O 5 (IO 3 ) 4 ] 2− polyanions induced a strong second harmonic generation response

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  43. Wide bandgaps and strong SHG responses of hetero-oxyfluorides by dual-fluorination-directed bandgap engineering

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  44. HgSO4: An excellent mid-infrared sulfate nonlinear optical crystal with wide band gap and strong second harmonic generation response

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  45. One-Side Capping in Two-Dimensional WO 3 -Type Materials Leading to Strong Second-Harmonic Response

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  46. Synthesis, crystal structure and optical properties of the first bromine-containing iodate: Pb2IO3Br3

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  47. A Vanadium‐Based Fluoroxide Cathode Material for Lithium‐Ion Storage with High Energy Density

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  48. MIO 3 F (M = Co and Ni): Magnetic Iodate Fluorides with Zigzag Chains

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  49. C(NH2)3(I3O8)(HI3O8)(H2I2O6)(HIO3)4·3H2O: An Unprecedented Asymmetric Guanidinium Polyiodate with a Strong Second-Harmonic-Generation Response and a Wide Band Gap

    Inorganic Chemistry · 2023-01-19

    Dong Yan, Meng-Meng Ren, Fei‐Fei Mao, Yu Ma, Ru‐Ling Tang, Bingbing Zhang, Yao Ma, Xiu‐Du Zhang, Shu‐Fang Li

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  50. Noncentrosymmetric γ-Cs2I4O11 Obtained from IO4 Polyhedral Rearrangements in the Centrosymmetric β-Phase

    Inorganic Chemistry · 2023-01-30

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