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RESEARCH PAPER · Journal of the American Chemical Society · 2009

Polar or Nonpolar? A+ Cation Polarity Control in A2Ti(IO3)6(A = Li, Na, K, Rb, Cs, Tl)

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Polar or Nonpolar? A+ Cation Polarity Control in A2Ti(IO3)6(A = Li, Na, K, Rb, Cs, Tl)OriginalBiosynthesis and biological activity of enniatins49New Noncentrosymmetric Material - [N(CH3)4]ZnCl3: Polar Chains of Aligned ZnCl4 Tetrahedra63New thallium iodates—Synthesis, characterization, and calculations of Tl(IO3)3 and Tl4(IO3)6, [Tl+3Tl3+(IO3)6]25Noncentrosymmetric Polar Oxide Material, Pb3SeO5: Synthesis, Characterization, Electronic Structure Calculations, and Structure−Property Relationships147Syntheses, Crystal Structures, and Properties of Five New Transition Metal Molybdenum(VI) Selenites and Tellurites54Syntheses and crystal structures of four new silver(i) iodates with d 0 -transition metal cations45Lone electron-pair enhancement of SHG responses in eulytite-type compounds: A II 3 M III (PO 4 ) 3 (A = Pb, M = Bi; A = Ba, M = Bi, La)34Syntheses, crystal structures, and properties of three new lanthanum( iii ) vanadium iodates56Titanium, zirconium, hafnium0Zn3(4-OOCC6H4PO3)2: A polar metal phosphonate with pillared layered structure showing SHG-activity and large dielectric anisotropy25Cation Coordination Control of Anionic Group Alignment to Maximize SHG Effects in the BaMBO3F (M = Zn, Mg) Series128NaVO2(IO3)2(H2O): A Unique Layered Material Produces A Very Strong SHG Response143A Strong Second-Harmonic Generation Material Cd4BiO(BO3)3 Originating from 3-Chromophore Asymmetric Structures295Growth of Bi2ZnOB2O6 crystal by the Czochralski method17Alkaline Beryllium Borate NaBeB3O6 and ABe2B3O7 (A = K, Rb) as UV Nonlinear Optical Crystals359Interrelationship of Micro- and Macrostructure with Nonlinear Optical Properties of Simple and Binary Acentric Niobate Crystals7A3V5O14 (A = K+, Rb+, or Tl+), New Polar Oxides with a Tetragonal Tungsten Bronze Related Structural Topology: Synthesis, Structure, and Functional Properties76Cd1−xBix(Cd1+xIn1−x)VO6 (0 ≤ x ≤ 0.14): A New Polar Oxide with Second-Harmonic Generation22Polar or Non-Polar? Syntheses, Crystal Structures, and Optical Properties of Three New Palladium(II) Iodates45A series of new alkali metal indium iodates with isolated or extended anions22A congruently melting and deep UV nonlinear optical material: Li3Cs2B5O10104New Second-Order NLO Materials Based on Polymeric Borate Clusters and GeO4 Tetrahedra: A Combined Experimental and Theoretical Study69Explorations of New Second-Order Nonlinear Optical Materials in the Potassium Vanadyl Iodate System268Top-Seeded Solution Growth, Morphology, and Properties of a Polar Crystal Cs2TeMo3O1277Growth, crystal structure and optical properties of layered dibarium cadmium diborate, Ba2Cd(BO3)217[R-C7H16N2][V2Te2O10] and [S-C7H16N2][V2Te2O10]; new polar templated vanadium tellurite enantiomers34K3B6O10Cl: A New Structure Analogous to Perovskite with a Large Second Harmonic Generation Response and Deep UV Absorption Edge670Synthesis, Characterization, and Structure–Property Relationships in Two New Polar Oxides: Zn2(MoO4)(SeO3) and Zn2(MoO4)(TeO3)80Structures and properties of functional metal iodates72Anisotropic Thermal Properties of the Nonlinear Optical and Polar Oxide Material Na2TeW2O931Na2CsBe6B5O15: An Alkaline Beryllium Borate as a Deep-UV Nonlinear Optical Crystal318BiO(IO3): A New Polar Iodate that Exhibits an Aurivillius-Type (Bi2O2)2+ Layer and a Large SHG Response503Polymorphism of BaTeMo 2 O 9 : A New Polar Polymorph and the Phase Transformation186Alkaline-Alkaline Earth Fluoride Carbonate Crystals ABCO3F (A = K, Rb, Cs; B = Ca, Sr, Ba) as Nonlinear Optical Materials525Bi2(IO4)(IO3)3: A New Potential Infrared Nonlinear Optical Material Containing [IO4]3– Anion111Centrosymmetric [N(CH3)4]2TiF6 vs. noncentrosymmetric polar [C(NH2)3]2TiF6: A hydrogen-bonding effect on the out-of-center distortion of TiF6 octahedra31Anisotropic thermal properties of the polar crystal Cs2TeMo3O1224A new noncentrosymmetric vanadoborate: synthesis, crystal structure and characterization of K2SrVB5O1222Cadmium-rare earth oxyborates Cd4ReO(BO3)3 (Re = Y, Gd, Lu): congruently melting compounds with large SHG responses65Design of SHG materials with mid-infrared transparency based on genetic engineering for Ba2BiInA5 (A = Se, Te)22PbPt(IO3)6(H2O): a new polar material with two types of stereoactive lone-pairs and a very large SHG response80Second-Order Nonlinear Optical Materials Based on Metal Iodates, Selenites, and Tellurites60Structure Design and Crystal Growth of UV Nonlinear Borate Materials14Titanium, zirconium, hafnium1ZnIO3(OH): a new layered noncentrosymmetric polar iodate – hydrothermal synthesis, crystal structure, and second-harmonic generating (SHG) properties36UV Nonlinear Optical Crystal Ba2[B6O9(OH)4] Featuring Unique Chiral Layers with a New B18O42 Circle Based on BO3 and BO4 Units97Structure, growth and properties of a novel polar material, KSr4B3O921Top‐seeded growth, optical properties and theoretical studies of noncentrosymmetric Te2V2O914Two New Noncentrosymmetric (NCS) Polar Oxides: Syntheses, Characterization, and Structure–Property Relationships in BaMTe2O7 (M = Mg2+ or Zn2+)50Inducing polarity in [VO3]nn− chain compounds using asymmetric hydrogen-bonding networks17Synthesis, crystal structure and properties of a new strontium cadmium diborate5Ba2(BO3)1–x(CO3)xCl1+x: A Mixed Borate and Carbonate Chloride Crystallized from High-Temperature Solution37Pb4VBO8: Synthesis, Crystal Structure, and Properties5Synthesis, crystal structure and properties of a new lead calcium diborate7Integration of first-principles methods and crystallographic database searches for new ferroelectrics: Strategies and explorations51Exploratory Investigation of New SHG Materials Based on Galloborates46A Racemic Polar Cobalt Phosphonate with Weak Ferromagnetism32Investigation of the dielectric, elastic, and piezoelectric properties of Cs2TeMo3O12 crystals22Synthesis, Structure, and Characterization of New Li+ – d0 –Lone-Pair – Oxides: Noncentrosymmetric Polar Li6(Mo2O5)3(SeO3)6 and Centrosymmetric Li2(MO3)(TeO3) (M = Mo6+ or W6+)47Titanyl Iodate – A Promising Material for Infrared Nonlinear Optics Showing Structural Similarities with KTP32Role of Hydrogen-Bonding in the Formation of Polar Achiral and Nonpolar Chiral Vanadium Selenite Frameworks26CdB10O14(OH)4·H2O with an unprecedented decaborate fundamental building block1Chemistry of Polar Transition-Metal Oxides1K4TM4(V2O7)2(IO3)4(H2O) (TM = Zn, Ni, Co): a series of quinary mixed metal–vanadium(v)–iodates18Pb2TiOF(SeO3)2Cl and Pb2NbO2(SeO3)2Cl: small changes in structure induced a very large SHG enhancement117Syntheses, crystal structures and magnetic properties of three new silver manganese(ii) or manganese(iii) mixed metal iodates10Synthesis, structure, and characterization of a new promising nonlinear optical crystal: Cd5(BO3)3F42Tl(VO)2O2(IO3)3: a new polar material with a strong SHG response26ZnTeMoO6: a strong second-harmonic generation material originating from three types of asymmetric building units53New Molybdenum(VI) Phosphates: Synthesis, Characterization, and Calculations of Centrosymmetric RbMoO2PO4and Noncentrosymmetric Rb4Mo5P2O2239New Fluoride Carbonates: Centrosymmetric KPb2(CO3)2F and Noncentrosymmetric K2.70Pb5.15(CO3)5F367Synthesis, Structure, and Characterization of Two New Polar Sodium Tungsten Selenites: Na2(WO3)3(SeO3)·2H2O and Na6(W6O19)(SeO3)247Large scale synthesis, second-harmonic generation, and piezoelectric properties of a noncentrosymmetric vanadium phosphate, Li2VPO69Zn2(VO4)(IO3): A Novel Polar Zinc(II) Vanadium(V) Iodate with a Large SHG Response94New Alkali-Metal Gallium Selenites, AGa(SeO3)2 (A = Li, Na, K, and Cs): Effect of Cation Size on the Framework Structures and Macroscopic Centricities76Experimental and Theoretical Studies on the Linear and Nonlinear Optical Properties of Bi 2 ZnOB 2 O 654Hydrothermal synthesis, growth, and properties of a new chloride iodate13Chiral and Noncentrosymmetric Metal–Organic Frameworks Featuring a 2D → 3D Parallel/Parallel Inclined Subpolycatenation27Na8Lu2(CO3)6F2 and Na3Lu(CO3)2F2: Rare Earth Fluoride Carbonates as Deep-UV Nonlinear Optical Materials139Metal Chalcogenides: A Rich Source of Nonlinear Optical Materials680New alkali-metal bidentate borate–malate NaB(DL-C4H4O5)2 and CsB(DL-C4H4O5)2⋅H2O: Effect of cations on the framework structures and macroscopic centricities10Explorations of a Series of Second Order Nonlinear Optical Materials Based on Monovalent Metal Gold(III) Iodates33Noncentrosymmetric Cubic CsCdBO3 with Bichromophore23Synthesis and characterization of ASnF3 (A=Na+, K+, Rb+, Cs+)29A 2 BiI 5 O 15 (A = K + or Rb + ): two new promising nonlinear optical materials containing [I 3 O 9 ] 3− bridging anionic groups62Dimensionality variations in new zirconium iodates: hydrothermal syntheses, structural determination, and characterization of BaZr(IO 3 ) 6 and K 2 Zr(IO 3 ) 619Polar metal phosphonate containing unusual μ4-OH bridged double chains showing canted antiferromagnetism with large coercivity43Sodium–rare earth carbonates with shorite structure and large second harmonic generation response44Explorations of New Second-Order Nonlinear Optical Materials in the Ternary Rubidium Iodate System: Noncentrosymmetric β-RbIO3(HIO3)2 and Centrosymmetric Rb3(IO3)3(I2O5)(HIO3)4(H2O)59Investigation of the second-order nonlinear optical properties of Cs2TeMo3O12 single crystal31Noncentrosymmetric versus Centrosymmetric: Influence of the Na+ Substitution on Structural Transition and Second-Harmonic Generation Property50KSbB2O6 and BaSb2B4O12: Novel Boroantimonates with 3D Anionic Architectures Composed of 1D Chains of SbO6 Octahedra and B2O5 Groups36α-AgI3O8 and β-AgI3O8 with Large SHG Responses: Polymerization of IO3 Groups into the I3O8 Polyiodate Anion113Rich Structural Chemistry in Scandium Selenium/Tellurium Oxides: Mixed-Valent Selenite–Selenates, Sc2(SeO3)2(SeO4) and Sc2(TeO3)(SeO3)(SeO4), and Ternary Tellurite, Sc2(TeO3)341In[IO3](OH)2 – New member of hydrous and anhydrous iodate family with indium6Na4La2(CO3)5 and CsNa5Ca5(CO3)8: Two New Carbonates as UV Nonlinear Optical Materials65Synthesis, crystal structure and optical properties of two new layered cadmium iodates: Cd(IO3)X (X=Cl, OH)13(MMgBO3)n (n = 1, M = Li, Na, K, Rb and n = 4, M = Cs): An investigation on the structure transition and optical properties8Microscopic Origins of Optical Second Harmonic Generation in Noncentrosymmetric–Nonpolar Materials87Synthesis and structural characterization of a new rubidium borosulfate, Rb5BS4O1616Designing the syntheses and photophysical simulations of noncentrosymmetric compounds17Anomalous second-harmonic generation response in SrBPO 5 and BaBPO 541BaBi(SeO 3 ) 2 Cl: a new polar material showing high second-harmonic generation efficiency enhanced by constructive alignment of chloride ions36Effect of cation substitution on structural transition: synthesis, characterization and theoretical studies of NaCa 4 B 3 O 9 , NaCaBO 3 , NaSrBO 3 and Li 4 CaB 2 O 618Effect of the cation size on the framework structures of magnesium tungstate, A 4 Mg(WO 4 ) 3 (A = Na, K), R 2 Mg 2 (WO 4 ) 3 (R = Rb, Cs)31Macroscopic polarity control with alkali metal cation size and coordination environment in a series of tin iodates82Second-harmonic generation (SHG) and photoluminescence properties of noncentrosymmetric (NCS) layered perovskite solid solutions, CsBi 1−x Eu x Nb 2 O 7 (x = 0, 0.1, and 0.2)30Recent advances on second-order NLO materials based on metal iodates328A Facile Synthetic Route to a New SHG Material with Two Types of Parallel π‐Conjugated Planar Triangular Units287A Facile Synthetic Route to a New SHG Material with Two Types of Parallel π‐Conjugated Planar Triangular Units59Tailored Synthesis of a Nonlinear Optical Phosphate with a Short Absorption Edge241Tailored Synthesis of a Nonlinear Optical Phosphate with a Short Absorption Edge60Modulation of Framework and Centricity: Cation Size Effect in New Quaternary Selenites, ASc(SeO3)2 (A = Na, K, Rb, and Cs)41Polar Polymorphism: α-, β-, and γ-Pb2Ba4Zn4B14O31–Synthesis, Characterization, and Nonlinear Optical Properties79Structure-Directing Effect of Alkali Metal Cations in New Molybdenum Selenites, Na2Mo2O5(SeO3)2, K2Mo2O5(SeO3)2, and Rb2Mo3O7(SeO3)315Metal Thiophosphates with Good Mid-infrared Nonlinear Optical Performances: A First-Principles Prediction and Analysis441Bidenticity-Enhanced Second Harmonic Generation from Pb Chelation in Pb3Mg3TeP2O14169IR Spectra of Minerals and Related Compounds, and Reference Samples’ Data21Metal–organic frameworks as competitive materials for non-linear optics312New fluoroborate Cd 8 B 5 O 15 F with two different isolated borate anions prepared by an open high-temperature solution method7Structural variety in zinc telluro-phosphates: syntheses, crystal structures and characterizations of Sr 2 Zn 3 Te 2 P 2 O 14 , Pb 2 Zn 3 Te 2 P 2 O 14 and Ba 2 Zn 2 TeP 2 O 1119K2Au(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 Threshold124New Series of Polar and Nonpolar Platinum Iodates A2Pt(IO3)6 (A = H3O, Na, K, Rb, Cs)33NaBa4(GaB4O9)2X3 (X = Cl, Br) with NLO-Active GaO4 Tetrahedral Unit: Experimental and ab Initio Studies25Nonlinear optical (NLO) properties and temperature-dependent photoluminescence in activator-doped noncentrosymmetric (NCS) bismuth tellurite solid solutions, Bi2−Ln TeO5 (Ln = Ce and Eu)8Molecular Engineering as an Approach To Design a New Beryllium-Free Fluoride Carbonate as a Deep-Ultraviolet Nonlinear Optical Material101Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family148Polar Noncentrosymmetric ZnMoSb2O7 and Nonpolar Centrosymmetric CdMoSb4O10: d10 Transition Metal Size Effect Influencing the Stoichiometry and the Centricity38DFT Based Theoretical Study about the Contributions of Fluorine to Nonlinear Optical Properties in Borate Fluoride Crystals27“All-Three-in-One”: A New Bismuth–Tellurium–Borate Bi3TeBO9 Exhibiting Strong Second Harmonic Generation Response223Differences and Similarities between Lanthanum and Rare-Earth Iodate Anhydrous Polymorphs: Structures, Thermal Behaviors, and Luminescent Properties12Cd3(MoO4)(TeO3)2: A Polar 3D Compound Containing d10–d0 SCALP-Effect Cations85Toward the Rational Design of Novel Noncentrosymmetric Materials: Factors Influencing the Framework Structures601Bi 2 O(XO 4 )(IO 3 ) 2 (X = S, Se, Cr): Three-dimensional frameworks containing [Bi 4 O 2 ] 8+ clusters19Ag 3 I[(MoO 3 ) 2 (IO 3 ) 2 ]: a new polar material synthesized from the structural modulation of molybdenyl iodate architectures by polarizable cation (Ag + ) and anion (I − )6LiMCO 3 (M = K, Rb, Cs): a series of mixed alkali carbonates with large birefringence12Noncentrosymmetric (NCS) solid solutions: elucidating the structure–nonlinear optical (NLO) property relationship and beyond21Two haloid borate crystals with large nonlinear optical response32Structural Modulation of Nitrate Group with Cations to Affect SHG Responses in RE(OH)2NO3 (RE = La, Y, and Gd): New Polar Materials with Large NLO Effect after Adjusting pH Values of Reaction Systems151Bi(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 Effect71Synthesis, second-harmonic generations (SHG), and photoluminescence (PL) properties of Ca 4 Bi 6-x Ln x O 13 (Ln=La and Eu) solid solutions3Photoconversion Mechanisms and the Origin of Second-Harmonic Generation in Metal Iodates with Wide Transparency, NaLn(IO3)4 (Ln = La, Ce, Sm, and Eu) and NaLa(IO3)4:Ln3+ (Ln = Sm and Eu)32Two Barium Gold Iodates: Syntheses, Structures, and Properties of Polar BaAu(IO3)5 and Nonpolar HBa4Au(IO3)12 Materials5Coexistence of Strong Second Harmonic Generation Response and Wide Band Gap in AZn4Ga5S12 (A=K, Rb, Cs) with 3D Diamond‐like Frameworks65M(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 Anion55A cation size effect on the framework structures in ABi 2 SeO 3 F 5 (A = K and Rb): first examples of alkali metal bismuth selenite fluorides14

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    S Firáková, Bohumil Proksa, M. Šturdíková

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  2. New Noncentrosymmetric Material - [N(CH3)4]ZnCl3: Polar Chains of Aligned ZnCl4 Tetrahedra

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  3. New thallium iodates—Synthesis, characterization, and calculations of Tl(IO3)3 and Tl4(IO3)6, [Tl+3Tl3+(IO3)6]

    Journal of Solid State Chemistry · 2009-09-24

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  4. Noncentrosymmetric Polar Oxide Material, Pb3SeO5: Synthesis, Characterization, Electronic Structure Calculations, and Structure−Property Relationships

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  5. Syntheses, Crystal Structures, and Properties of Five New Transition Metal Molybdenum(VI) Selenites and Tellurites

    Inorganic Chemistry · 2009-11-17

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  6. Syntheses and crystal structures of four new silver(i) iodates with d 0 -transition metal cations

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  7. Lone electron-pair enhancement of SHG responses in eulytite-type compounds: A II 3 M III (PO 4 ) 3 (A = Pb, M = Bi; A = Ba, M = Bi, La)

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  8. Syntheses, crystal structures, and properties of three new lanthanum( iii ) vanadium iodates

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  11. Cation Coordination Control of Anionic Group Alignment to Maximize SHG Effects in the BaMBO3F (M = Zn, Mg) Series

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  12. NaVO2(IO3)2(H2O): A Unique Layered Material Produces A Very Strong SHG Response

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  15. Alkaline Beryllium Borate NaBeB3O6 and ABe2B3O7 (A = K, Rb) as UV Nonlinear Optical Crystals

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  16. Interrelationship of Micro- and Macrostructure with Nonlinear Optical Properties of Simple and Binary Acentric Niobate Crystals

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  18. Cd1−xBix(Cd1+xIn1−x)VO6 (0 ≤ x ≤ 0.14): A New Polar Oxide with Second-Harmonic Generation

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  19. Polar or Non-Polar? Syntheses, Crystal Structures, and Optical Properties of Three New Palladium(II) Iodates

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  20. A series of new alkali metal indium iodates with isolated or extended anions

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  21. A congruently melting and deep UV nonlinear optical material: Li3Cs2B5O10

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  22. New Second-Order NLO Materials Based on Polymeric Borate Clusters and GeO4 Tetrahedra: A Combined Experimental and Theoretical Study

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  34. Alkaline-Alkaline Earth Fluoride Carbonate Crystals ABCO3F (A = K, Rb, Cs; B = Ca, Sr, Ba) as Nonlinear Optical Materials

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  35. Bi2(IO4)(IO3)3: A New Potential Infrared Nonlinear Optical Material Containing [IO4]3– Anion

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