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RESEARCH PAPER · Journal of the American Chemical Society · 2016

Mixed-Metal Carbonate Fluorides as Deep-Ultraviolet Nonlinear Optical Materials

T. Thao Tran, Joshua Young, James M. Rondinelli, P. Shiv Halasyamani

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Mixed-Metal Carbonate Fluorides as Deep-Ultraviolet Nonlinear Optical MaterialsOriginalA new method for the preparation of a [Sn 2 (H 2 PO 2 ) 3 ]Br SHG-active polar crystal via surfactant-induced strategy12Crystal growth and optical properties of a UV nonlinear optical material KSrCO 3 F73Explorations of new UV nonlinear optical materials in the Na 2 CO 3 –CaCO 3 system37Top-Seeded Solution Crystal Growth and Linear and Nonlinear Optical Properties of Ba 4 B 11 O 20 F42M4Mg4(P2O7)3 (M = K, Rb): Structural Engineering of Pyrophosphates for Nonlinear Optical Applications238Design and Synthesis of a Series of Novel Mixed Borate and Carbonate Halides21Synthesis and characterization of a new beryllium-free deep-ultraviolet nonlinear optical material: Na2GdCO3F331Finding the Next Deep-Ultraviolet Nonlinear Optical Material: NH4B4O6F1233Viewpoint: Inorganic Materials for UV and Deep-UV Nonlinear-Optical Applications207The Next‐Generation of Nonlinear Optical Materials: Rb3Ba3Li2Al4B6O20F—Synthesis, Characterization, and Crystal Growth87K2[B3O3(OH)5]: A new deep-UV nonlinear optical crystal with isolated [B3O3(OH)5]2- anionic groups31Cs 3 VO(O 2 ) 2 CO 3 : an exceptionally thermostable carbonatoperoxovanadate with an extremely large second-harmonic generation response129Exploration of new UV nonlinear optical materials in the sodium–zinc fluoride carbonate system with the discovery of a new regulation mechanism for the arrangement of [CO 3 ] 2− groups26Influence of A-site cations on germanium iodates as mid-IR nonlinear optical materials: A 2 Ge(IO 3 ) 6 (A = Li, K, Rb and Cs) and BaGe(IO 3 ) 6 ·H 2 O43Na 4 Ca(CO 3 ) 3 : a novel carbonate analog of borate optical materials20Perfect balance harmony in Ba 2 NO 3 (OH) 3 : a beryllium-free nitrate as a UV nonlinear optical material184The second-harmonic generation intensification derived from localization conjugated π-orbitals in O 2 2−39A Joint Strategy To Evaluate the Microscopic Origin of the Second-Harmonic-Generation Response in Nonpolar ABCO3F Compounds32Non-Centrosymmetric RbNaMgP 2 O 7 with Unprecedented Thermo-Induced Enhancement of Second Harmonic Generation239Three alkaline-rare earth cations carbonates with large birefringence in the deep UV range14Electronic, optical, infrared, and elastic properties of KCdCO3F from first principles2Recent advances in ultraviolet and deep-ultraviolet second-order nonlinear optical crystals257Deep-ultraviolet nonlinear optical materials: Development trend and innovative exploration16CsSiB3O7: A Beryllium-Free Deep-Ultraviolet Nonlinear Optical Material Discovered by the Combination of Electron Diffraction and First-Principles Calculations58The role of cations in second-order nonlinear optical materials based on π-conjugated [BO 3 ] 3− groups195The relationship between covalent bonds and the optical response in a nonpolar family ATeMoO 6 (A=Mg, Zn, Cd): A Berry-phase investigation14Computer-Assisted Design of a Superior Be 2 BO 3 F Deep-Ultraviolet Nonlinear-Optical Material41Variable Asymmetric Chains in Transition Metal Oxyfluorides: Structure–Second-Harmonic-Generation Property Relationships16Exploring Potential Beryllium-free, Deep-Ultraviolet Optical Crystals in the Rare Earth Fluoride Carbonate–Water System34MIMIIP3O9 (MI = Rb, MII = Cd, Mg, Ca; MI = Cs, MII = Pb, Sr; MI = K, MII = Mg): Cation Substitution Application in Cyclophosphate Family and Nonlinear Optical Properties35A Fluorooxosilicophosphate with an Unprecedented SiO2F4 Species56A Fluorooxosilicophosphate with an Unprecedented SiO2F4 Species5Hydrogen Bonding Assisted Construction of Graphite-like Deep-UV Optical Materials with Two Types of Parallel π-Conjugated Units22High-efficient adsorption of phosphates from water by hierarchical CuAl/biomass carbon fiber layered double hydroxide106Fluorooxoborates: Ushering in a New Era of Deep Ultraviolet Nonlinear Optical Materials102Second-order nonlinear optical crystals with mixed anions250Why Some Noncentrosymmetric Borates Do Not Make Good Nonlinear Optical Materials: A Case Study with K3B5O8(OH)222Synthesis, Structure, and Properties of the Non-Centrosymmeteric Compound LiNaRbB5O8(OH)23Ba2NaClP2O7: Unprecedented Phase Matchability Induced by Symmetry Breaking and Its Unique Fresnoite-Type Structure245Monofluorophosphates: A New Source of Deep-Ultraviolet Nonlinear Optical Materials257Y2(CO3)3·H2O and (NH4)2Ca2Y4(CO3)9·H2O: Partial Aliovalent Cation Substitution Enabling Evolution from Centrosymmetry to Noncentrosymmetry for Nonlinear Optical Response37A 2 Bi 2 (SO 4 ) 2 Cl 4 (A = NH 4 , K, Rb): achieving a subtle balance of the large second harmonic generation effect and sufficient birefringence in sulfate nonlinear optical materials98Adjustable optical nonlinearity in d 10 cations containing chalcogenides via dp hybridization interaction13Exploration of the deep-ultraviolet nonlinear optical materials in the derivatives of KBe2BO3F27Functional layered materials with heavy metal lone pair cations, Pb 2+ , Bi 3+ , and Te 4+90Two alkali calcium borates exhibiting second harmonic generation and deep-UV cutoff edges3Y 8 O(OH) 15 (CO 3 ) 3 Cl: an excellent short-wave UV nonlinear optical material exhibiting an infrequent three-dimensional inorganic cationic framework61Bi2Te2O6(NO3)2(OH)2(H2O): A layered bismuth tellurium nitrate hydroxide with multiple noncentrosymmetric chromophores14Layered Bismuth Oxyfluoride Nitrates Revealing Large Second-Harmonic Generation and Photocatalytic Properties37CsSbF 2 SO 4 : An Excellent Ultraviolet Nonlinear Optical Sulfate with a KTiOPO 4 (KTP)‐type Structure87CsSbF2SO4: An Excellent Ultraviolet Nonlinear Optical Sulfate with a KTiOPO4 (KTP)‐type Structure432Designing Three Fluorooxoborates with a Wide Transmittance Window by Anionic Group Substitution15Heteroanionic Materials by Design: Progress Toward Targeted Properties236Refractive Index Modulates Second-Harmonic Responses in RE 8 O(CO 3 ) 3 (OH) 15 X (RE = Y, Lu; X = Cl, Br): Rare-Earth Halide Carbonates as Ultraviolet Nonlinear Optical Materials37Structure–Property Correlation Studies of Potassium 4,4′-Bis(dinitromethyl)-3,3′-azofurazanate: A Noncentrosymmetric Primary Explosive14K9[B4O5(OH)4]3(CO3)X·7H2O (X = Cl, Br): Syntheses, Characterizations, and Theoretical Studies of Noncentrosymmetric Halogen Borate–Carbonates with Short UV Cutoff Edges16Nitrate nonlinear optical crystals: A survey on structure-performance relationships146Structural Origin of Thermally Induced Second Harmonic Generation Enhancement in RbNaMgP2O721Emergent Deep‐Ultraviolet Nonlinear Optical Candidates324Neue Kandidaten für die nichtlineare Optik im Tief‐UV‐Bereich43Na2Mg1−xZnxSiO4 (0 ≤ x ≤ 1): Noncentrosymmetric Sodium Metal Silicate Solid Solutions with Ultraviolet Nonlinear Optical Properties71NaRb3B6O9(OH)3(HCO3): A Borate-Bicarbonate Nonlinear Optical Material18(NH 4 ) 3 [B(OH) 3 ] 2 (COOH) 3 : a graphite-like UV nonlinear optical material with a large birefringence via structural optimization31Helix-constructed polar rare-earth iodate fluoride as a laser nonlinear optical multifunctional material25Inorganic planar π-conjugated groups in nonlinear optical crystals: review and outlook145Novel ultraviolet (UV) nonlinear optical (NLO) materials discovered by chemical substitution-oriented design302Optimal arrangement of π-conjugated anionic groups in hydro-isocyanurates leads to large optical anisotropy and second-harmonic generation effect42Second harmonic generation responses of KH 2 PO 4 : importance of K and breaking down of Kleinman symmetry49Second-order nonlinear optical materials with a benzene-like conjugated π system49Structure-property relationship in nonlinear optical materials with π-conjugated CO3 triangles146Pb6O5(NO3)2: A Nonlinear Optical Oxynitrate Structurally Based on Lead Oxide Framework4Synthesis, Crystal Structure, and Characterization of a Noncentrosymmetric Sulfate Cs2Ca2(SO4)320Synthesis, characterizations and theoretical analysis of a noncentrosymmetric sulfate8Designing a Deep-UV Nonlinear Optical Fluorooxosilicophosphate127Aliovalent-substituted synthesis for a non-centrosymmetric phosphate with enhanced nonlinear-optical response5K4Sb(SO4)3Cl: The first apatite-type sulfate ultraviolet nonlinear optical material with sharply enlarged birefringence61NaPb2(CO3)2Fx(OH)1-x(0 < x ≤ 1): A new member of alkali-lead carbonate fluoride system with large birefringence3From Bowls to Capsules: Assembly of Hexanuclear NiII Rings Tailored by Alkali Cations0Vapor-assisted epitaxial growth of porphyrin-based MOF thin film for nonlinear optical limiting42A review on phase transition and structure-performance relationship of second-order nonlinear optical polymorphs107New Alkaline-Earth Metal Fluoroiodates Exhibiting Large Birefringence and Short Ultraviolet Cutoff Edge with Highly Polarizable (IO 3 F) 2– Units63Bi 3 (SeO 3 ) 3 (Se 2 O 5 )F: A Polar Bismuth Selenite Fluoride with Polyhedra of Highly Distortive Lone Pair Cations and Strong Second-Harmonic Generation Response63K 2 Sb(P 2 O 7 )F: Cairo Pentagonal Layer with Bifunctional Genes Reveal Optical Performance297K2Sb(P2O7)F: Cairo Pentagonal Layer with Bifunctional Genes Reveal Optical Performance38Cs3B3O3F6 with a Deep-Ultraviolet Cutoff Edge and a Suitable Birefringence as the Potential Zero-Order Waveplate Material31Ba3(BO3)(CO3)F: The First Borate Carbonate Fluoride Synthesized by the High‐Temperature Solution Method19Explorations of Second-Order Nonlinear Optical Materials in the Alkaline Earth Barbiturate System: Noncentrosymmetric Ca(H3C4N2O3)2·H2O and Centrosymmetric Sr(H5C8N4O5)2·4H2O23Giant Optical Anisotropy in the UV‐Transparent 2D Nonlinear Optical Material Sc(IO 3 ) 2 (NO 3 )212Giant Optical Anisotropy in the UV‐Transparent 2D Nonlinear Optical Material Sc(IO 3 ) 2 (NO 3 )57Noncentrosymmetric K2Mn3(SO4)3F2·4H2O and Rb2Mn3(SO4)3F2·2H2O with pseudo-KTP structures29Comprehensive Density Functional Theory Studies of Vibrational Spectra of Carbonates63NaZnCO 3 (OH): A High-Performance Carbonate Ultraviolet Nonlinear Optical Crystal Derived from KBe 2 BO 3 F 2194Sb6O7(SO4)2: A Promising Ultraviolet Nonlinear Optical Material with an Enhanced Second‐Harmonic‐Generation Response Activated by SbIII Lone‐Pair Stereoactivity62Computationally assisted multistage design and prediction driving the discovery of deep-ultraviolet nonlinear optical materials41Deep-ultraviolet transparent alkali metal–rare earth metal sulfate NaY(SO 4 ) 2 ·H 2 O as a nonlinear optical crystal: synthesis and characterization28In situ hydrothermal synthesis of polar second-order nonlinear optical selenate Na 5 (SeO 4 )(HSeO 4 ) 3 (H 2 O) 219Pb 2 TiFO(SeO 3 ) 2 Br: a new polar compound with the strongest second harmonic generation in the selenite bromide family29Rb3In(SO4)3: a defluorinated mixed main-group metal sulfate for ultraviolet transparent nonlinear optical materials with a large optical band gap26Zn(NH 3 )CO 3 : a “three-in-one” UV nonlinear optical crystal built by a polar molecule bonding strategy18M(NH 2 SO 3 ) 2 (M=Sr, Ba): Two Deep‐Ultraviolet Transparent Sulfamates Exhibiting Strong Second Harmonic Generation Responses and Moderate Birefringence142M(NH 2 SO 3 ) 2 (M=Sr, Ba): Two Deep‐Ultraviolet Transparent Sulfamates Exhibiting Strong Second Harmonic Generation Responses and Moderate Birefringence27Large Second-Harmonic Response and Giant Birefringence of CeF 2 (SO 4 ) Induced by Highly Polarizable Polyhedra248Second-order nonlinear optical property of the ultraviolet transparent alkali metal-rare earth metal carbonate Na3Y(CO3)3.3H2O5LiZn(OH)CO3: A Deep‐Ultraviolet Nonlinear Optical Hydroxycarbonate Designed from a Diamond‐like Structure180LiZn(OH)CO3: A Deep‐Ultraviolet Nonlinear Optical Hydroxycarbonate Designed from a Diamond‐like Structure10UV Solar‐Blind‐Region Phase‐Matchable Optical Nonlinearity and Anisotropy in a π‐Conjugated Cation‐Containing Phosphate196UV Solar‐Blind‐Region Phase‐Matchable Optical Nonlinearity and Anisotropy in a π‐Conjugated Cation‐Containing Phosphate28Cyanurates consisting of intrinsic planar π-conjugated 6-membered rings: An emerging source of optical functional materials111Te(CS(NH2)2)4SO4·2H2O: A Three-in-One Semiorganic Nonlinear Optical Crystal with an Unusual Quadrilateral (TeS4)6– Chromophore14From Centrosymmetry to Noncentrosymmetry: Tailoring the Structural Arrangements of Carbonates with Strong Nonlinear Optical Response through Partial Anion Substitution33Structure-performance relationship in tri-coordinated nonlinear optical materials toward optimal second harmonic generation and phase matching31A Congruent‐Melting Mid‐Infrared Nonlinear Optical Vanadate Exhibiting Strong Second‐Harmonic Generation22A Congruent‐Melting Mid‐Infrared Nonlinear Optical Vanadate Exhibiting Strong Second‐Harmonic Generation63Non-π-Conjugated Deep-Ultraviolet Nonlinear Optical Crystal K2Zn3(SO4)(HSO4)2F4372D van der Waals Layered [C(NH2)3]2SO3S Exhibits Desirable UV Nonlinear-Optical Trade-Off47Achieving Short‐Wavelength Phase‐Matching Second Harmonic Generation in Boron‐Rich Borosulfate with Planar [BO3] Units102Achieving Short‐Wavelength Phase‐Matching Second Harmonic Generation in Boron‐Rich Borosulfate with Planar [BO3] Units9La 3 Ga 3 Ge 2 S 3 O 10 : An Ultraviolet Nonlinear Optical Oxysulfide Designed by Anion‐Directed Band Gap Engineering63La3Ga3Ge2S3O10: An Ultraviolet Nonlinear Optical Oxysulfide Designed by Anion‐Directed Band Gap Engineering18Strong SHG Responses in a Beryllium‐Free Deep‐UV‐Transparent Hydroxyborate via Covalent Bond Modification89Strong SHG Responses in a Beryllium‐Free Deep‐UV‐Transparent Hydroxyborate via Covalent Bond Modification9Chalcogen Bond Involving Zinc(II)/Cadmium(II) Carbonate and Its Enhancement by Spodium Bond9Complex coordinated functional groups: A great genes for nonlinear optical materials64Pushing KTiOPO4-like Nonlinear Optical Sulfates into the Deep-Ultraviolet Spectral Region19A Lanthanum Ammonium Sulfate Double Salt with a Strong SHG Response and Wide Deep‐UV Transparency15A Lanthanum Ammonium Sulfate Double Salt with a Strong SHG Response and Wide Deep‐UV Transparency96Recent Development of Non-π-Conjugated Deep Ultraviolet Nonlinear Optical Materials106Rational combination of multiple structural groups on regulating nonlinear optical property in hexagonal Ln3MGeS7 polar crystals10A flexible functional module to regulate ultraviolet optical nonlinearity for achieving a balance between a second-harmonic generation response and birefringence43KLi 2 CO 3 F: a beryllium-free KBBF-type deep-UV carbonate with an enhanced interlayer interaction and large birefringence20Nain(C2o4)(Hpo4)(H2o)5: An Ultraviolet Transparent Nonlinear Optical Oxalate-Phosphate with Large Birefringence0Synthesis, crystal structure, and luminescence properties of a three-dimensional coordination polymer from europium( iii ) carbonate hemioxalate hydrate6Review of Heteroleptic Tetrahedra as Birefringent or Nonlinear Optical Motifs17Phase Relations in the CaO-B2O3-Sc2O3 Ternary System1Advances in second-order nonlinear optical sulfates38Balance of Deep-Ultraviolet Transparency and Large Second Harmonic Generation Response in a Silicate Crystal9[C4H4O4]⋅[C6H13N] as a nonlinear optical co-crystal with spike-like dielectric anomalies0Orbital projection technique to explore the materials genomes of optical susceptibilities5Deep-ultraviolet nonlinear optical crystals: concept development and materials discovery181Cation-anion synergetic interactions achieving tunable birefringence in quasi-one-dimensional antimony(III) fluoride oxalates58Directional Construction of New Nonlinear Optical Bifunctional Units through Molecular Engineering Design Inspired by the B 3 O 7 -Typed Configuration23Crystal Growth of K2HCO3F·H2O with a Very Short Cutoff Edge and Large Birefringence17A Hybrid Antiperovskite with Strong Linear and Second‐Order Nonlinear Optical Responses15A Hybrid Antiperovskite with Strong Linear and Second‐Order Nonlinear Optical Responses96The Microscopic Origin of Second Harmonic Generation Response: The Spatial Structure of Instantaneous Dipole Moments in Electron Excitation8The Microscopic Origin of Second Harmonic Generation Response: The Spatial Structure of Instantaneous Dipole Moments in Electron Excitation1Chemical Bonding Effects and Physical Properties of Noncentrosymmetric Hexagonal Fluorocarbonates ABCO3F (A: K, Rb, Cs; B: Mg, Ca, Sr, Zn, Cd)10Isoreticular Design of KTiOPO 4 -Like Deep-Ultraviolet Transparent Materials Exhibiting Strong Second-Harmonic Generation68Exploring Short-Wavelength Phase-Matching Nonlinear Optical Crystals by Employing KBe2BO3F2 as the Template95Syntheses, structures, and characterization of new heteroanionic chalcohalides: Na2Ba17In8Q21F18 (Q = S, Se), KBa2InQ3F2 (Q = S, Se)5

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  11. K2[B3O3(OH)5]: A new deep-UV nonlinear optical crystal with isolated [B3O3(OH)5]2- anionic groups

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  42. A 2 Bi 2 (SO 4 ) 2 Cl 4 (A = NH 4 , K, Rb): achieving a subtle balance of the large second harmonic generation effect and sufficient birefringence in sulfate nonlinear optical materials

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  43. Adjustable optical nonlinearity in d 10 cations containing chalcogenides via dp hybridization interaction

    Dalton Transactions · 2019-01-01

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  44. Exploration of the deep-ultraviolet nonlinear optical materials in the derivatives of KBe2BO3F2

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  45. Functional layered materials with heavy metal lone pair cations, Pb 2+ , Bi 3+ , and Te 4+

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  46. Two alkali calcium borates exhibiting second harmonic generation and deep-UV cutoff edges

    New Journal of Chemistry · 2019-01-01

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  47. Y 8 O(OH) 15 (CO 3 ) 3 Cl: an excellent short-wave UV nonlinear optical material exhibiting an infrequent three-dimensional inorganic cationic framework

    Chemical Communications · 2019-01-01

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  48. Bi2Te2O6(NO3)2(OH)2(H2O): A layered bismuth tellurium nitrate hydroxide with multiple noncentrosymmetric chromophores

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  49. Layered Bismuth Oxyfluoride Nitrates Revealing Large Second-Harmonic Generation and Photocatalytic Properties

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  50. CsSbF 2 SO 4 : An Excellent Ultraviolet Nonlinear Optical Sulfate with a KTiOPO 4 (KTP)‐type Structure

    Angewandte Chemie · 2019-02-26

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