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RESEARCH PAPER · Chemistry of Materials · 2014

α-AgI3O8 and β-AgI3O8 with Large SHG Responses: Polymerization of IO3 Groups into the I3O8 Polyiodate Anion

Xiang Xu, Chun‐Li Hu, Bingxuan Li, Bing‐Ping Yang, Jiang‐Gao Mao

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α-AgI3O8 and β-AgI3O8 with Large SHG Responses: Polymerization of IO3 Groups into the I3O8 Polyiodate AnionOriginalComputational design of inorganic nonlinear optical crystals based on a genetic algorithm93ChemInform Abstract: α‐AgI3O8 and β‐AgI3O8 with Large SHG Responses: Polymerization of IO3 Groups into the I3O8 Polyiodate Anion.0Recent advances on second-order NLO materials based on metal iodates328Strong IR NLO Material Ba4MGa4Se10Cl2: Highly Improved Laser Damage Threshold via Dual Ion Substitution Synergy97Structures, Thermal Behaviors, and Luminescent Properties of Anhydrous Lanthanum Iodate Polymorphs26Pb17O8Cl18: A Promising IR Nonlinear Optical Material with Large Laser Damage Threshold Synthesized in an Open System223Series of SHG Materials Based on Lanthanide Borate–Acetate Mixed Anion Compounds39K2Au(IO3)5 and β‐KAu(IO3)4: Polar Materials with Strong SHG Responses Originating from Synergistic Effect of AuO4 and IO3 Units18KSbI6O18: An antimony iodate semiconductor material with cyclic chiral S6-symmetric hexaiodate7RbIO3 and RbIO2F2: Two Promising Nonlinear Optical Materials in Mid-IR Region and Influence of Partially Replacing Oxygen with Fluorine for Improving Laser Damage Threshold124Na 2 ZnGe 2 S 6 : A New Infrared Nonlinear Optical Material with Good Balance between Large Second-Harmonic Generation Response and High Laser Damage Threshold302BiFSeO 3 : An Excellent SHG Material Designed by Aliovalent Substitution207Iodine-Rich Imidazolium Iodate and Periodate Salts: En Route to Single-Based Biocidal Agents32Recent achievements on middle and far-infrared second-order nonlinear optical materials433A new cerium iodate infrared nonlinear optical material with a large second-harmonic generation response30DFT study on the interfacial properties of vertical and in-plane BiOI/BiOIO 3 hetero-structures20K 8 Ce 2 I 18 O 53 : a novel potassium cerium( iv ) iodate with enhanced visible light driven photocatalytic activity resulting from polar zero dimensional [Ce(IO 3 ) 8 ] 4− units14Li 3 Ge 3 Se 6 : the first ternary lithium germanium selenide with interesting ∞ [Ge 6 Se 12 ] n chains constructed by ethane-like [Ge 2 Se 6 ] 6− clusters8Na 2 CdGe 2 Q 6 (Q = S, Se): two metal-mixed chalcogenides with phase-matching abilities and large second-harmonic generation responses78Iodide-Iodates M3[IO3]12·Ag4I, M = Bi, Tb, with a Framework Structure and High Second-Harmonic Generation Optical Response19Bi(IO3)F2: The First Metal Iodate Fluoride with a Very Strong Second Harmonic Generation Effect238Bi(IO3)F2: The First Metal Iodate Fluoride with a Very Strong Second Harmonic Generation Effect71Frequency conversion in the acentric tetragonal nonlinear crystal NaI_3O_84Growth, Properties, and Theoretical Analysis of M2LiVO4 (M = Rb, Cs) Crystals: Two Potential Mid-Infrared Nonlinear Optical Materials36Two Barium Gold Iodates: Syntheses, Structures, and Properties of Polar BaAu(IO3)5 and Nonpolar HBa4Au(IO3)12 Materials5ABi2(IO3)2F5 (A=K, Rb, and Cs): A Combination of Halide and Oxide Anionic Units To Create a Large Second‐Harmonic Generation Response with a Wide Bandgap140ABi2(IO3)2F5 (A=K, Rb, and Cs): A Combination of Halide and Oxide Anionic Units To Create a Large Second‐Harmonic Generation Response with a Wide Bandgap36M(IO3)(HPO4)(H2O) (M = Sc, Fe, Ga, In): Introduction of Phosphate Anions into Metal Iodates16Acentric La3(IO3)8(OH) and La(IO3)2(NO3): Partial Substitution of Iodate Anions in La(IO3)3 by Hydroxide or Nitrate Anion55Pb 3 (SeO 3 )Br 4 : a new nonlinear optical material with enhanced SHG response designed via an ion-substitution strategy36From AgGaS2 to Li2ZnSiS4: Realizing Impressive High Laser Damage Threshold Together with Large Second-Harmonic Generation Response134Functional Materials Design via Structural Regulation Originated from Ions Introduction: A Study Case in Cesium Iodate System90Bi 2 (IO 3 )(IO 6 ): First combination of [IO 3 ] − and [IO 6 ] 5− anions in three-dimensional framework9Effect of Element Substitution on Structural Transformation and Optical Performances in I2BaMIVQ4 (I = Li, Na, Cu, and Ag; MIV = Si, Ge, and Sn; Q = S and Se)63A Series of Mixed-Metal Germanium Iodates as Second-Order Nonlinear Optical Materials71MgSiAs: An Unexplored System with Promising Nonlinear Optical Properties53Mo6+ Cation Enrichment of the Structure Chemistry of Iodates: Syntheses, Structures, and Calculations of Ba(MoO2)2(IO3)4O, Ba3[(MoO2)2(IO3)4O(OH)4]·2H2O, and Sr[(MoO2)6(IO4)2O4]·H2O24Ce(IO3)2F2⋅H2O: The First Rare‐Earth‐Metal Iodate Fluoride with Large Second Harmonic Generation Response66A Facile Route to Nonlinear Optical Materials: Three‐Site Aliovalent Substitution Involving One Cation and Two Anions138A Facile Route to Nonlinear Optical Materials: Three‐Site Aliovalent Substitution Involving One Cation and Two Anions23LiMg(IO 3 ) 3 : an excellent SHG material designed by single-site aliovalent substitution68Lone pair effects on ternary infrared nonlinear optical materials19Structural modulation induced by M IIIA metals in Ba 3 MQ 4 X (M = Al, Ga, In; Q = S, Se; X = Cl, Br): an experimental and computational analysis7TB-mBJ calculation of structural, electronic and optical properties of two monovalent iodates AIO3 (A=Tl, α-Rb)9HBa2.5(IO3)6(I2O5) and HBa(IO3)(I4O11): Explorations of Second-Order Nonlinear Optical Materials in the Alkali-Earth Polyiodate System49Two Polar Molybdenum(VI) Iodates(V) with Large Second-Harmonic Generation Responses67REI5O14 (RE=Y and Gd): Promising SHG Materials Featuring the Semicircle‐Shaped I5O143− Polyiodate Anion125REI5O14 (RE=Y and Gd): Promising SHG Materials Featuring the Semicircle‐Shaped I5O143− Polyiodate Anion62Five New Silver Rare‐Earth Iodates, AgLn(IO3)4 (Ln=Pr, Sm, Dy, Er and Tm): Synthesis, Structures and Properties6SrI3O9H: A new alkaline earth metal iodate with two different anionic units using mild aqua-solution method8Cs2Bi2O(Ge2O7) (CBGO): A Larger SHG Effect Induced by Synergistic Polarizations of BiO5 Polyhedra and GeO4 Tetrahedra73Cs2Bi2O(Ge2O7) (CBGO): A Larger SHG Effect Induced by Synergistic Polarizations of BiO5 Polyhedra and GeO4 Tetrahedra18Ag4Hg(SeO3)2(SeO4): a novel SHG material created in mixed valent selenium oxides by in situ synthesis36A new iodate-phosphate Pb 2 (IO 3 )(PO 4 ) achieving great improvement in birefringence activated by (IO 3 ) − groups53A study of composition effects on the bandgaps in a series of new alkali metal aluminum/gallium iodates7Bi 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 material20Fluorooxoborate layers: second harmonic generation and Raman spectra anisotropy2Incorporating rare-earth cations with moderate electropositivity into iodates for the optimized second-order nonlinear optical performance17The functionality of tetrahedral units in fluoroxoiodates: fluorine-modulating effects in iodates with lone pair electrons3Band-Gap Modulation of Nonlinear-Optical Fluorooxoborates by Controlling the F/B Ratios4K2Na(IO3)2(I3O8) with Strong Second Harmonic Generation Response Activated by Two Types of Isolated Iodate Anions46A review on phase transition and structure-performance relationship of second-order nonlinear optical polymorphs107Ba2[MoO3(OH)(IO3)2]IO3: A Promising SHG Material Featuring a Λ-Shaped Functional Motif Achieved by Universal Mono-Site Substitution50Recent Advances in Oxide‐based Nonlinear Optical Materials with Wide Infrared Transparency Beyond 6 μm38From Ag2Zr(IO3)6 to LaZr(IO3)5F2: A Case of Constructing Wide‐band‐gap Birefringent Materials through Chemical Cosubstitution11The first actinide polyiodate: a complex multifunctional compound with promising X-ray luminescence properties and proton conductivity17[GaF(H 2 O)][IO 3 F]: a promising NLO material obtained by anisotropic polycation substitution42NaGaI 3 O 9 F: a new alkali metal gallium iodate combined with IO 3 − and IO 3 F 2− units16Pressure-dependent modifications in the optical and electronic properties of Fe(IO 3 ) 3 : the role of Fe 3d and I 5p lone–pair electrons15SrTi(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 anisotropy17High-Performance Second-Harmonic-Generation (SHG) Materials: New Developments and New Strategies324[ o ‐C 5 H 4 NHOH] 2 [I 7 O 18 (OH)]⋅3 H 2 O: An Organic–Inorganic Hybrid SHG Material Featuring an [I 7 O 18 (OH)] Branched Polyiodate Chain86[o‐C5H4NHOH]2[I7O18(OH)]⋅3 H2O: An Organic–Inorganic Hybrid SHG Material Featuring an [I7O18(OH)] Branched Polyiodate Chain21Synthesis, Structure, Characterization, and Calculation of a Noncentrosymmetric Fluorine-Containing Indium Iodate, Ba[InF3(IO3)2]10Hydrothermal Synthesis of New Iodates Ln2(IO3)3(IO4) (Ln = La, Nd, Pr) Containing the Tetraoxoiodate(V) Anion: Creation of Luminescence Properties by Doping with Eu, Dy, and Tb5Pressure-Driven Symmetry-Preserving Phase Transitions in Co(IO3)223The Role of Acidity in the Synthesis of Novel Uranyl Selenate and Selenite Compounds and Their Structures2M4O(IO3)3(I3O7F3)BF4 (M = Pb, Sr): Promising Nonlinear Optical Materials Featuring the Unprecedented Windmill-Shaped [I3O7F3]2– Polyfluoroiodate Anion12Halogen-Ion-Induced Structural Phase Transition Giving a Polymorph of HgBr2 with Balanced Nonlinear Optical Properties8K6(IO6H4)(HI2O6)(HIO3)2(IO3)4·2H2O: A Case of Iodate with Coexisting [I5+O3] and [I7+O6] Units6Ba 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 groups2Band gap modulation and nonlinear optical properties of quaternary tellurates Li 2 GeTeO 613CaCe(IO 3 ) 3 (IO 3 F)F: a promising nonlinear optical material containing both IO 3 − and IO 3 F 2− anions22Mg(H 2 O) 6 [(IO 2 (OH)) 2 (IO 3 )] 2 : a new iodate with a very large band gap and optical anisotropy14Structure, optical and luminescence properties of anhydrous samarium iodate Sm 3 (IO 3 ) 9 (HIO 3 ) 46Explorations of New SHG Materials in Mercury Iodate Sulfate System**9Pressure-induced phase transition and increase of oxygen-iodine coordination in magnesium iodate16General relationship between the band-gap energy and iodine-oxygen bond distance in metal iodates15First Investigation of Nonlinear Optical Oxychalcogenide with Three‐Dimensional Anionic Framework and Special Windmill‐Like Functional Motifs †28C(NH2)3Rb(I3O8)(IO3)(I2O6H2): An unprecedented organic–inorganic hybrid polyiodate with two different polyiodate groups13AIO3·H6TeO6 (A = NH4+, Rb+): Two telluric acid and iodate Co-crystalline compounds with second harmonic generation response4Na 7 (SeO 4 ) 3 (IO 3 ) and K 2 (SeO 4 )[IO 2 (OH)]: two new iodate-selenates with short-wave UV cutoff edge and large birefringence8Growth and Optical Properties of Large-Sized NaVO2(IO3)2(H2O) Crystals for Second-Harmonic Generation Applications12C(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-Phase16A review on the advancements in the characterization of the high-pressure properties of iodates44Single-Crystalline Li2Sn(IO3)6 Microwires: Combining Optical-Waveguiding and Frequency-Doubling Functions5(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 Birefringence22NaLn(IO3)4 Iodates (Ln = Pr, Tb): New Representatives of Nonlinear Optical Crystals with the NaY(IO3)4 Structure3NaLn(IO3)4 Iodates (Ln = Pr, Tb): New Representatives of Nonlinear Optical Crystals with the NaY(IO3)4 Structure0Ag 2 [TeO 2 (OH) 4 ]: a nonlinear optical tellurate with balanced comprehensive performance2Highly Stable MOF‐Type Lead Halide Luminescent Ferroelectrics26Highly Stable MOF‐Type Lead Halide Luminescent Ferroelectrics7Samarium Hydrogen Iodate, Sm(IO3)3·HIO3: Synthesis and Characterization0Lanthanide Contraction Eliminates Disorder while Holding Robust Second Harmonic Generation in a Series of Polyiodates13SbO(OH)2(IO3): The First Polar Sb5+‐Iodate with a Strong Second‐Harmonic Generation Response and a Wide Bandgap8K 2 Na(I 3 O 8 ) 3 : a promising mid-infrared birefringent material with two different structures of octaoxotriiodate( v ) polyanions1Cationic Modification in Hybrid Iodates: A Pathway to Superior Performance13Rb2HSc(IO3)6 – a new member of the iodate family with a structural unit [M(IO3)6]0Ag(Te 2 O 3 )(PO 4 ): Linear and Nonlinear Optical Properties of a Noncentrosymmetric Phosphotellurite with P–O–Te Connection1Negative linear compressibility and phonon softening in Mg ( IO 3 ) 2 under pressure1

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  2. ChemInform Abstract: α‐AgI3O8 and β‐AgI3O8 with Large SHG Responses: Polymerization of IO3 Groups into the I3O8 Polyiodate Anion.

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  3. Recent advances on second-order NLO materials based on metal iodates

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  4. Strong IR NLO Material Ba4MGa4Se10Cl2: Highly Improved Laser Damage Threshold via Dual Ion Substitution Synergy

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  7. Series of SHG Materials Based on Lanthanide Borate–Acetate Mixed Anion Compounds

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  8. K2Au(IO3)5 and β‐KAu(IO3)4: Polar Materials with Strong SHG Responses Originating from Synergistic Effect of AuO4 and IO3 Units

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  9. KSbI6O18: An antimony iodate semiconductor material with cyclic chiral S6-symmetric hexaiodate

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  34. Effect of Element Substitution on Structural Transformation and Optical Performances in I2BaMIVQ4 (I = Li, Na, Cu, and Ag; MIV = Si, Ge, and Sn; Q = S and Se)

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  36. MgSiAs: An Unexplored System with Promising Nonlinear Optical Properties

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  37. Mo6+ Cation Enrichment of the Structure Chemistry of Iodates: Syntheses, Structures, and Calculations of Ba(MoO2)2(IO3)4O, Ba3[(MoO2)2(IO3)4O(OH)4]·2H2O, and Sr[(MoO2)6(IO4)2O4]·H2O

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  39. A Facile Route to Nonlinear Optical Materials: Three‐Site Aliovalent Substitution Involving One Cation and Two Anions

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  40. A Facile Route to Nonlinear Optical Materials: Three‐Site Aliovalent Substitution Involving One Cation and Two Anions

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

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  44. TB-mBJ calculation of structural, electronic and optical properties of two monovalent iodates AIO3 (A=Tl, α-Rb)

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