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RESEARCH PAPER · Journal of the American Chemical Society · 2009

Flexible Polar Nanowires of Cs5BiP4Se12 from Weak Interactions between Coordination Complexes: Strong Nonlinear Optical Second Harmonic Generation

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Flexible Polar Nanowires of Cs5BiP4Se12 from Weak Interactions between Coordination Complexes: Strong Nonlinear Optical Second Harmonic GenerationOriginalChemInform Abstract: Flexible Polar Nanowires of Cs5BiP4Se12 from Weak Interactions Between Coordination Complexes: Strong Nonlinear Optical Second Harmonic Generation.0Soft−Hard Acid−Base Interactions: Probing Coordination Preferences of Sulfur and Selenium in Mixed Chalcophosphates in the Family APbPS4−xSex(A = K, Rb, Cs;x= 0−4)12Synthesis, structure and theoretical studies of a new ternary non-centrosymmetric β-LaGaS325KBiMS4 (M=Si, Ge): Synthesis, structure, and electronic structure26Bi3In4S10 and Bi14.7In11.3S38: Two new bismuth sulfides with interesting Bi–Bi bonding16Arsenic-Containing Chalcophosphate Molecular Anions17BaGa4Se7: A New Congruent-Melting IR Nonlinear Optical Material402Stabilization of Sn2+ in K10Sn3(P2Se6)4 and Cs2SnP2Se6 Derived from a Basic Flux19BaAl4Se7: a new infrared nonlinear optical material with a large band gap57Dynamic isomers engaged fabrication of copper sulfide rattle-type structures and their optoelectronic properties18Single-Crystalline Cu4Bi4S9 Nanoribbons: Facile Synthesis, Growth Mechanism, and Surface Photovoltaic Properties61In-Phase Alignments of Asymmetric Building Units in Ln 4 GaSbS 9 (Ln = Pr, Nd, Sm, Gd−Ho) and Their Strong Nonlinear Optical Responses in Middle IR212Synthesis, Characterization, and Structure–Property Relationships in Two New Polar Oxides: Zn2(MoO4)(SeO3) and Zn2(MoO4)(TeO3)80Syntheses and Characterization of New Mid-Infrared Transparency Compounds: Centric Ba2BiGaS5 and Acentric Ba2BiInS595Thallium Chalcogenide-Based Wide-Band-Gap Semiconductors: TlGaSe2 for Radiation Detectors97BiO(IO3): A New Polar Iodate that Exhibits an Aurivillius-Type (Bi2O2)2+ Layer and a Large SHG Response503Rb4Sn5P4Se20: A Semimetallic Selenophosphate23Rb4Sn5P4Se20: A Semimetallic Selenophosphate1Tl2Hg3Q4 (Q = S, Se, and Te): High-Density, Wide-Band-Gap Semiconductors54Germanium Selenophosphates: The Incommensurately Modulated 1/∞[Ge4-xPxSe124–] and the Molecular [Ge2P2Se14]6–8Structural organization and dimensionality at the hands of weak intermolecular Au⋯Au, Au⋯X and X⋯X (X = Cl, Br, I) interactions38LiGaGe2Se6: A New IR Nonlinear Optical Material with Low Melting Point110BaGa2MQ6 (M = Si, Ge; Q = S, Se): a new series of promising IR nonlinear optical materials199Large Crystal Growth and New Crystal Exploration of Mid-Infrared Second-Order Nonlinear Optical Materials56Controlled Synthesis of Bulk Polymer Nanocomposites with Tunable Second Order Nonlinear Optical Properties30Growth and characterization of BaGa4Se7 crystal136First-principles studies on linear and nonlinear optical effects in Ln4GaSbS9 (Ln=Ce–Nd, Sm, Gd–Tm, Lu)9Synthesis, Structure, and Properties of Li2In2MQ6 (M = Si, Ge; Q = S, Se): A New Series of IR Nonlinear Optical Materials125CsSnI 3 : Semiconductor or Metal? High Electrical Conductivity and Strong Near-Infrared Photoluminescence from a Single Material. High Hole Mobility and Phase-Transitions1203Na2Ge2Se5: A highly nonlinear optical material62Synthesis, structural characterization and optical properties of new compounds: Centrosymmetric Ba2GaMQ5 (M=Sb,Bi; Q=Se,Te), Ba2InSbTe5 and noncentrosymmetric Ba2InSbSe533Molecular Germanium Selenophosphate Salts: Phase-Change Properties and Strong Second Harmonic Generation85Novel single-crystal's voltage-dependent effect and magnetic order of Ln2ZrQ5 (Ln = La, Sm, Gd; Q = S, Se) semiconductors31Ba6Sn6Se13: a new mixed valence selenostannate with NLO property50Syntheses, crystal and electronic structures, and characterizations of the mixed anions compounds Ba4In2Te2Q5 (Q = S, Se)6Synthesis, structure, optical property, and electronic structure of Ba7AgGa5Se159New quinternary selenides: Syntheses, characterizations, and electronic structure calculations1Heterometallic Clusters [CuSn3S9]5− and [Cu6Sn6S20]10−: Solvothermal Synthesis and Characterization of 4f–3d Thiostannates26New Metal Chalcogenides Ba4CuGa5Q12 (Q = S, Se) Displaying Strong Infrared Nonlinear Optical Response118Metal Chalcogenides: A Rich Source of Nonlinear Optical Materials680Cs2MIIMIV3Q8 (Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps96Crystalline and Glassy Phases in the Cs/Bi/As/S System8Computational design of inorganic nonlinear optical crystals based on a genetic algorithm93Noncentrosymmetric chalcohalide NaBa 4 Ge 3 S 10 Cl with large band gap and IR NLO response104Thermoelectric, band structure, chemical bonding and dispersion of optical constants of new metal chalcogenides Ba4CuGa5Q12 (Q=S, Se)4Beryllium-free Li4Sr(BO3)2 for deep-ultraviolet nonlinear optical applications462Ag 3 Ga 3 SiSe 8 : a new infrared nonlinear optical material with a chalcopyrite structure34Inter- and intramolecular non-covalent interactions in 1-methylimidazole-2-carbaldehyde complexes of copper, silver, and gold9Syntheses, structures, optical properties, and electronic structures of KBaMSe 3 (M = As, Sb)22Novel One-, Two-, and Three-Dimensional Selenidostannates Templated by Iron(II) Complex Cation23Syntheses, structures, and optical properties of Ba 4 Ga 4 SnSe 12 and Ba 6 Ga 2 SnSe 1119Synthesis and characterization of a new mid-infrared transparent compound: acentric Ba 5 In 4 Te 4 S 713Second Harmonic Generation Response Optimized at Various Optical Wavelength Ranges through a Series of Cubic Chalcogenides Ba6Ag2.67+4δSn4.33−δS16–xSex41Phase-Change Behavior and Nonlinear Optical Second and Third Harmonic Generation of the One-Dimensional K(1–x)CsxPSe6 and Metastable β-CsPSe662Synthesis and Characterization of Mid-Infrared Transparency Compounds: Acentric BaHgS2 and Centric Ba8Hg4S5Se752Hybrid Germanium Iodide Perovskite Semiconductors: Active Lone Pairs, Structural Distortions, Direct and Indirect Energy Gaps, and Strong Nonlinear Optical Properties945Metal Thiophosphates with Good Mid-infrared Nonlinear Optical Performances: A First-Principles Prediction and Analysis441K 2 Sn 2 ZnSe 6 , Na 2 Ge 2 ZnSe 6 , and Na 2 In 2 GeSe 6 : a new series of quaternary selenides with intriguing structural diversity and nonlinear optical properties32The structure and band gap design of high Si doping level Ag1−xGa1−xSixSe2 (x=1/2)15Phase Transition, Conformational Exchange, and Nonlinear Optical Third Harmonic Generation of ACsP2Se8 (A = K, Rb, Cs)19Midinfrared Nonlinear Optical Thiophosphates from LiZnPS4 to AgZnPS4: A Combined Experimental and Theoretical Study100Synthesis and Crystal Structure of the New Mixed‐metal Bismuth Indium Sulfide, Bi0.76In1.24S33Hierarchical active factors to band gap and nonlinear optical response in Ag-containing quaternary-chalcogenide compounds9Scandium Selenophosphates: Structure and Properties of K 4 Sc 2 (PSe 4 ) 2 (P 2 Se 6 )8Unprecedented 3D and 2D Frameworks of Manganese Thioarsenates Based on Heterometallic Cubic Cluster [Mn6(µ6‐S)(AsS3)4] and Covalent Linker N2H46Color tunable nanopaper solar cells using hybrid CH3NH3PbI3−xBrx perovskite40Non‐centrosymmetric Selenides AZn4In5Se12 (A=Rb, Cs): Synthesis, Characterization and Nonlinear Optical Properties47Recent achievements on middle and far-infrared second-order nonlinear optical materials433Two excellent phase-matchable infrared nonlinear optical materials based on 3D diamond-like frameworks: RbGaSn 2 Se 6 and RbInSn 2 Se 639Wide band gap design of new chalcogenide compounds: KSrPS 4 and CsBaAsS 422Superpolyhedron-Built Second Harmonic Generation Materials Exhibit Large Mid-Infrared Conversion Efficiencies and High Laser-Induced Damage Thresholds101Mid-Infrared Nonlinear Optical Materials Based on Metal Chalcogenides: Structure–Property Relationship338Panoramic Synthesis as an Effective Materials Discovery Tool: The System Cs/Sn/P/Se as a Test Case46Sonochemical synthesis, characterization, thermal and semiconducting behavior of nano-sized azidopentaamminecobalt(III) complexes containing anion, CrO42− or Cr2O72−7LiGaGe2S6: A Chalcogenide with Good Infrared Nonlinear Optical Performance and Low Melting Point56Experimental and theoretical studies on the NLO properties of two quaternary non-centrosymmetric chalcogenides: BaAg 2 GeS 4 and BaAg 2 SnS 468Design and synthesis of a nonlinear optical material BaAl 4 S 7 with a wide band gap inspired from SrB 4 O 764Four new quaternary chalcogenides A 2 Ba 7 Sn 4 Q 16 (A = Li, Na; Q = S, Se): syntheses, crystal structures determination, nonlinear optical performances investigation26Pushing Nonlinear Optical Oxides into the Mid-Infrared Spectral Region Beyond 10 μm: Design, Synthesis, and Characterization of La3SnGa5O14145Quaternary Chalcogenide Semiconductors with 2D Structures: Rb2ZnBi2Se5 and Cs6Cd2Bi8Te1712From CuFeS 2 to Ba 6 Cu 2 FeGe 4 S 16 : rational band gap engineering achieves large second-harmonic-generation together with high laser damage threshold22Syntheses, structures, optical properties, and electronic structures of Ba6Cu2GSn4S16 (G = Fe, Ni) and Sr6D2FeSn4S16 (D = Cu, Ag)9Inherent laws between tetrahedral arrangement pattern and optical performance in tetrahedron-based mid-infrared nonlinear optical materials131Chalcophosphates: A Treasure House of Infrared Nonlinear Optical Materials75Recent Achievements in Lone-Pair Cation-Based Infrared Second-Order Nonlinear Optical Materials95Aliovalent-cation-substitution-induced structure transformation: a new path toward high-performance IR nonlinear optical materials47M 2 As 2 Q 5 (M = Ba, Pb; Q = S, Se): a source of infrared nonlinear optical materials with excellent overall performance activated by multiple discrete arsenate anions70The Rise of Infrared Nonlinear Optical Pnictides: Advances and Outlooks36Ba2MAsQ5 (Q = S and Se) Family of Polar Structures with Large Second Harmonic Generation and Phase Matchability23RbBiP2S6: A Promising IR Nonlinear Optical Material with a Giant Second-Harmonic Generation Response Designed by Aliovalent Substitution80KREP2Se6 (RE = Sm, Gd, Tb): The First Rare‐Earth Selenophosphates with Remarkable Nonlinear Optical Activities Realized by Synergistic Effect of RE‐ and P‐Based Motifs39The induced polarization enhanced birefringence in AlPS4 family: A first-principles investigation6Heteroanionic [VO x S 4− x ] groups: tetrahedral units with large birefringence for mid-infrared nonlinear optical crystals9Cs 3 In(In 4 Se 7 )(P 2 Se 6 ): A Multi‐Chromophore Chalcogenide with Excellent Nonlinear Optical Property Designed by Group Grafting55Cs3In(In4Se7)(P2Se6): A Multi‐Chromophore Chalcogenide with Excellent Nonlinear Optical Property Designed by Group Grafting2Infrared nonlinear optical materials with multiple strongly ionic cations5Design of a high-performance infrared birefringent crystal Ba 4 HgP 2 Se 10 via a low-dimensional motif intercalation strategy2Stabilization of the Polar 0D Cs4Nb2–xTaxS11 with Phase-Matched Second-Harmonic Generation and High Laser-Induced Damage Threshold4Structure-property relationships in IR nonlinear optical chalcogenides with stereochemically active lone pairs29Maximizing the second-harmonic generation response via coordination-induced localization of nonbonding electrons12Cation Off-Centering Drives Unusual Synthesizability and Extraordinarily Low Thermal Conductivity in Metastable AgPbSbS 31A Rigid‐Flexible Cooperative Bond‐Engineering Strategy for the Rational Design of Advanced Infrared Nonlinear Optical Crystals2

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  2. Soft−Hard Acid−Base Interactions: Probing Coordination Preferences of Sulfur and Selenium in Mixed Chalcophosphates in the Family APbPS4−xSex(A = K, Rb, Cs;x= 0−4)

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  3. Synthesis, structure and theoretical studies of a new ternary non-centrosymmetric β-LaGaS3

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  4. KBiMS4 (M=Si, Ge): Synthesis, structure, and electronic structure

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  5. Bi3In4S10 and Bi14.7In11.3S38: Two new bismuth sulfides with interesting Bi–Bi bonding

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  6. Arsenic-Containing Chalcophosphate Molecular Anions

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  7. BaGa4Se7: A New Congruent-Melting IR Nonlinear Optical Material

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  8. Stabilization of Sn2+ in K10Sn3(P2Se6)4 and Cs2SnP2Se6 Derived from a Basic Flux

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  9. BaAl4Se7: a new infrared nonlinear optical material with a large band gap

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  10. Dynamic isomers engaged fabrication of copper sulfide rattle-type structures and their optoelectronic properties

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  11. Single-Crystalline Cu4Bi4S9 Nanoribbons: Facile Synthesis, Growth Mechanism, and Surface Photovoltaic Properties

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  12. In-Phase Alignments of Asymmetric Building Units in Ln 4 GaSbS 9 (Ln = Pr, Nd, Sm, Gd−Ho) and Their Strong Nonlinear Optical Responses in Middle IR

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  13. Synthesis, Characterization, and Structure–Property Relationships in Two New Polar Oxides: Zn2(MoO4)(SeO3) and Zn2(MoO4)(TeO3)

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  14. Syntheses and Characterization of New Mid-Infrared Transparency Compounds: Centric Ba2BiGaS5 and Acentric Ba2BiInS5

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  15. Thallium Chalcogenide-Based Wide-Band-Gap Semiconductors: TlGaSe2 for Radiation Detectors

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  16. BiO(IO3): A New Polar Iodate that Exhibits an Aurivillius-Type (Bi2O2)2+ Layer and a Large SHG Response

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  17. Rb4Sn5P4Se20: A Semimetallic Selenophosphate

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  18. Rb4Sn5P4Se20: A Semimetallic Selenophosphate

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  19. Tl2Hg3Q4 (Q = S, Se, and Te): High-Density, Wide-Band-Gap Semiconductors

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  20. Germanium Selenophosphates: The Incommensurately Modulated 1/∞[Ge4-xPxSe124–] and the Molecular [Ge2P2Se14]6–

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  21. Structural organization and dimensionality at the hands of weak intermolecular Au⋯Au, Au⋯X and X⋯X (X = Cl, Br, I) interactions

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  31. Synthesis, structural characterization and optical properties of new compounds: Centrosymmetric Ba2GaMQ5 (M=Sb,Bi; Q=Se,Te), Ba2InSbTe5 and noncentrosymmetric Ba2InSbSe5

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  32. Molecular Germanium Selenophosphate Salts: Phase-Change Properties and Strong Second Harmonic Generation

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  33. Novel single-crystal's voltage-dependent effect and magnetic order of Ln2ZrQ5 (Ln = La, Sm, Gd; Q = S, Se) semiconductors

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  34. Ba6Sn6Se13: a new mixed valence selenostannate with NLO property

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  38. Heterometallic Clusters [CuSn3S9]5− and [Cu6Sn6S20]10−: Solvothermal Synthesis and Characterization of 4f–3d Thiostannates

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  39. New Metal Chalcogenides Ba4CuGa5Q12 (Q = S, Se) Displaying Strong Infrared Nonlinear Optical Response

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  40. Metal Chalcogenides: A Rich Source of Nonlinear Optical Materials

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  41. Cs2MIIMIV3Q8 (Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps

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  42. Crystalline and Glassy Phases in the Cs/Bi/As/S System

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  43. Computational design of inorganic nonlinear optical crystals based on a genetic algorithm

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  46. Beryllium-free Li4Sr(BO3)2 for deep-ultraviolet nonlinear optical applications

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  47. Ag 3 Ga 3 SiSe 8 : a new infrared nonlinear optical material with a chalcopyrite structure

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  48. Inter- and intramolecular non-covalent interactions in 1-methylimidazole-2-carbaldehyde complexes of copper, silver, and gold

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  49. Syntheses, structures, optical properties, and electronic structures of KBaMSe 3 (M = As, Sb)

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  50. Novel One-, Two-, and Three-Dimensional Selenidostannates Templated by Iron(II) Complex Cation

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