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RESEARCH PAPER · Journal of the American Chemical Society · 2015

RbMgCO3F: A New Beryllium-Free Deep-Ultraviolet Nonlinear Optical Material

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RbMgCO3F: A New Beryllium-Free Deep-Ultraviolet Nonlinear Optical MaterialOriginalStructural Modulation of Anionic Group Architectures by Cations to Optimize SHG Effects: A Facile Route to New NLO Materials in the ATCO3F (A = K, Rb; T = Zn, Cd) Series114K2Pb3(CO3)3F2 and KCdCO3F: Novel Fluoride Carbonates with Layered and 3D Framework Structures42Preparation, nonlinear optical properties, and theoretical analysis of the non-centrosymmetric bismuth oxyfluoride, Bi 7 F 11 O 525ChemInform Abstract: RbMgCO3F: A New Beryllium‐Free Deep‐Ultraviolet Nonlinear Optical Material.0Bidenticity-Enhanced Second Harmonic Generation from Pb Chelation in Pb3Mg3TeP2O14169Pb4(OH)4(BrO3)3(NO3): An Example of SHG Crystal in Metal Bromates Containing π-Conjugated Planar Triangle59Synthesis and characterization of CsSrCO 3 F – a beryllium-free new deep-ultraviolet nonlinear optical material34Alkali metal–alkaline earth metal borate crystal LiBa 3 (OH)(B 9 O 16 )[B(OH) 4 ] as a new deep-UV nonlinear optical material34Crystal and electronic structures, and optical and magnetic properties of novel rare-earth sulfide borates RE 3 S 3 BO 3 (RE = Sm, Gd)18KPb 2 (PO 3 ) 5 : a novel nonlinear optical lead polyphosphate with a short deep-UV cutoff edge109The mechanism of large second harmonic generation enhancement activated by Zn 2+ substitution35Three new phosphates with isolated P 2 O 7 units: noncentrosymmetric Cs 2 Ba 3 (P 2 O 7 ) 2 and centrosymmetric Cs 2 BaP 2 O 7 and LiCsBaP 2 O 768Synthesis, Bonding, and Reactivity of Vanadium(IV) Oxido–Fluorido Compounds with Neutral Chelate Ligands of the General Formula cis-[VIV(═O)(F)(LN–N)2]+7Design and Syntheses of Three Novel Carbonate Halides: Cs 3 Pb 2 (CO 3 ) 3 I, KBa 2 (CO 3 ) 2 F, and RbBa 2 (CO 3 ) 2 F29Designing a Beryllium-Free Deep-Ultraviolet Nonlinear Optical Material without a Structural Instability Problem255Nonlinear 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 Material101Rb2Na(NO3)3: A Congruently Melting UV-NLO Crystal with a Very Strong Second-Harmonic Generation Response71Crystal growth and optical characteristics of beryllium-free polyphosphate, KLa(PO3)4, a possible deep-ultraviolet nonlinear optical crystal101Trigonal Planar [HgSe3]4– Unit: A New Kind of Basic Functional Group in IR Nonlinear Optical Materials with Large Susceptibility and Physicochemical Stability196Na 2 ZnGe 2 S 6 : A New Infrared Nonlinear Optical Material with Good Balance between Large Second-Harmonic Generation Response and High Laser Damage Threshold302Top-Seeded Solution Crystal Growth, Morphology, Optical and Thermal Properties of Ba3(ZnB5O10)PO442Deep‐Ultraviolet Nonlinear Optics in a Borate Framework with 21‐Ring Channels109A Deep-Ultraviolet Nonlinear Optical Crystal: Strontium Beryllium Borate Fluoride with Planar Be(O/F)3 Groups49Deep Ultraviolet Nonlinear Optical Materials644K3B3O4(OH)4·2H2O: A UV Nonlinear Optical Crystal with Isolated [B3O4(OH)4]3– Anion Groups21Pb2BO3Cl: A Tailor‐Made Polar Lead Borate Chloride with Very Strong Second Harmonic Generation381Pb2BO3Cl: A Tailor‐Made Polar Lead Borate Chloride with Very Strong Second Harmonic Generation129Positive and negative contribution to birefringence in a family of carbonates: A Born effective charges analysis36Deep-Ultraviolet Transparent Cs 2 LiPO 4 Exhibits an Unprecedented Second Harmonic Generation160Predicting Global Minimum in Complex Beryllium Borate System for Deep-ultraviolet Functional Optical Applications29SrNO3(OH)·H2O: A new member in strontium nitrate hydrate family with an ultraviolet cut-off edge7Cd3(MoO4)(TeO3)2: A Polar 3D Compound Containing d10–d0 SCALP-Effect Cations85A Polar Titanium–Organic Chain with a Very Large Second-Harmonic-Generation Response5Toward the Rational Design of Novel Noncentrosymmetric Materials: Factors Influencing the Framework Structures601Multiple Fluorine-Substituted Phosphate Germanium Fluorides and Their Thermal Stabilities5Cooperation of Three Chromophores Generates the Water‐Resistant Nitrate Nonlinear Optical Material Bi3TeO6OH(NO3)2113Cooperation of Three Chromophores Generates the Water‐Resistant Nitrate Nonlinear Optical Material Bi3TeO6OH(NO3)220Mixed-Metal Carbonate Fluorides as Deep-Ultraviolet Nonlinear Optical Materials259Synthesis, Crystal Structure, and Nonlinear Optical Properties of a New Alkali and Alkaline Earth Metal Carbonate RbNa5Ca5(CO3)810A new method for the preparation of a [Sn 2 (H 2 PO 2 ) 3 ]Br SHG-active polar crystal via surfactant-induced strategy12A promising lead-free fluoride carbonate SHG material designed from a theoretical perspective16Characterization and optimization of the growth conditions of a novel Cs 2 TeW 3 O 12 piezoelectric crystal5Collaborative enhancement from Pb 2+ and F − in Pb 2 (NO 3 ) 2 (H 2 O)F 2 generates the largest second harmonic generation effect among nitrates91Crystal growth and optical properties of a UV nonlinear optical material KSrCO 3 F73Experimental and ab initio studies of Cd 5 (BO 3 ) 3 Cl: the first cadmium borate chlorine NLO material with isolated BO 3 groups21Explorations of new UV nonlinear optical materials in the Na 2 CO 3 –CaCO 3 system37Li 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 responses77Noncentrosymmetric (NCS) solid solutions: elucidating the structure–nonlinear optical (NLO) property relationship and beyond21Role of spin–orbit interaction on the nonlinear optical response of CsPbCO 3 F using DFT35Structural diversities induced by cation sizes in a series of fluorogermanophosphates: A 2 [GeF 2 (HPO 4 ) 2 ] (A = Na, K, Rb, NH 4 , and Cs)4Syntheses, crystal structures and characterization of three alkaline metal borates7Theoretical perspectives on the structure, electronic, and optical properties of titanosilicates Li 2 M 4 [(TiO)Si 4 O 12 ] (M = K + , Rb + )13Two Phosphates: Noncentrosymmetric Cs6Mg6(PO3)18 and Centrosymmetric Cs2MgZn2(P2O7)255Structural 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 Systems151Facile Syntheses of Ba2[B4O7(OH)2] and Na[B5O7(OH)2](H2O) Borate Salts Exhibiting Nonlinear Optical Activity in the Ultraviolet50Bi3OF3(IO3)4: Metal Oxyiodate Fluoride Featuring a Carbon-Nanotube-like Topological Structure with Large Second Harmonic Generation Response121Top-Seeded Solution Crystal Growth and Linear and Nonlinear Optical Properties of Ba 4 B 11 O 20 F42Beryllium‐Free β‐Rb2Al2B2O7 as a Possible Deep‐Ultraviolet Nonlinear Optical Material Replacement for KBe2BO3F2184Beryllium‐Free β‐Rb2Al2B2O7 as a Possible Deep‐Ultraviolet Nonlinear Optical Material Replacement for KBe2BO3F278Synthesis, second-harmonic generations (SHG), and photoluminescence (PL) properties of Ca 4 Bi 6-x Ln x O 13 (Ln=La and Eu) solid solutions3Design and Synthesis of a Series of Novel Mixed Borate and Carbonate Halides21Two Barium Gold Iodates: Syntheses, Structures, and Properties of Polar BaAu(IO3)5 and Nonpolar HBa4Au(IO3)12 Materials5Crystal Growth and Linear and Nonlinear Optical Properties of KIO 3 ·Te(OH) 615Synthesis and characterization of a new beryllium-free deep-ultraviolet nonlinear optical material: Na2GdCO3F331A New KBBF-Family Nonlinear Optical Material with Strong Interlayer Bonding51Finding the Next Deep-Ultraviolet Nonlinear Optical Material: NH4B4O6F1233Structurally stable borate as a UV nonlinear optical material20Viewpoint: Inorganic Materials for UV and Deep-UV Nonlinear-Optical Applications207Conception d'une batterie "tout-organique" avec une tension de sortie supérieure à 2 V0Denticity and Mobility of the Carbonate Groups in AMCO3F Fluorocarbonates: A Study on KMnCO3F and High Temperature KCaCO3F Polymorph4LiGaGe2S6: A Chalcogenide with Good Infrared Nonlinear Optical Performance and Low Melting Point56Acentric La3(IO3)8(OH) and La(IO3)2(NO3): Partial Substitution of Iodate Anions in La(IO3)3 by Hydroxide or Nitrate Anion55K2[B3O3(OH)5]: A new deep-UV nonlinear optical crystal with isolated [B3O3(OH)5]2- anionic groups31Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials267MBaYB 6 O 12 (M = Rb, Cs): two new rare-earth borates with large birefringence and short ultraviolet cutoff edges42A beryllium-free deep-UV nonlinear optical material CsNaMgP 2 O 7 with honeycomb-like topological layers53Design and synthesis of a nonlinear optical material BaAl 4 S 7 with a wide band gap inspired from SrB 4 O 763Exploration 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− groups26Pb 2 BO 3 Br: a novel nonlinear optical lead borate bromine with a KBBF-type structure exhibiting strong nonlinear optical response112Structural insights into T 2 -cluster-containing chalcogenides with vertex-, edge- and face-sharing connection modes of NaQ 6 ligands: Na 3 ZnM III Q 4 (M III = In, Ga; Q = S, Se)13Synthesis, crystal structure and optical properties of a new fluorocarbonate with an interesting sandwich-like structure7A Member of Fluorooxoborates: Li2Na0.9K0.1B5O8F2 with the Fundamental Building Block B5O10F2 and a Short Cutoff Edge27A Joint Strategy To Evaluate the Microscopic Origin of the Second-Harmonic-Generation Response in Nonpolar ABCO3F Compounds32From AgGaS2 to Li2ZnSiS4: Realizing Impressive High Laser Damage Threshold Together with Large Second-Harmonic Generation Response134Three alkaline-rare earth cations carbonates with large birefringence in the deep UV range14M2B10O14F6 (M = Ca, Sr): Two Noncentrosymmetric Alkaline Earth Fluorooxoborates as Promising Next-Generation Deep-Ultraviolet Nonlinear Optical Materials356Recent advances in ultraviolet and deep-ultraviolet second-order nonlinear optical crystals257Engineered Photocatalytic Material Membrane Assemblies for Removing Nitrate from Water33Crystal structures and theoretical studies of polyphosphate LiZnP3O9 for nonlinear optical applications18The role of cations in second-order nonlinear optical materials based on π-conjugated [BO 3 ] 3− groups195Rb 3 VO(O 2 ) 2 CO 3 : A Four‐in‐One Carbonatoperoxovanadate Exhibiting an Extremely Strong Second‐Harmonic Generation Response207Rb3VO(O2)2CO3: A Four‐in‐One Carbonatoperoxovanadate Exhibiting an Extremely Strong Second‐Harmonic Generation Response42Combination of d 10 -cations and fluorine anion as active participants to design novel borate/carbonate nonlinear optical materials24Exploring Potential Beryllium-free, Deep-Ultraviolet Optical Crystals in the Rare Earth Fluoride Carbonate–Water System34Syntheses, Crystal Structures and Properties of Two Novel Mixed Anion Hybrids with Formulas of Pb 6 O 2 (BO 3 ) 2 (C 2 O 4 ) and Pb 4 (CO 3 ) 2 (C 2 O 4 )(OH) 21MIMIIP3O9 (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 Species5Non-centrosymmetric BaNaP3O9 with a short deep-ultraviolet cutoff edge14Hydrogen Bonding Assisted Construction of Graphite-like Deep-UV Optical Materials with Two Types of Parallel π-Conjugated Units22Advantageous Units in Antimony Sulfides: Exploration and Design of Infrared Nonlinear Optical Materials95Two noncentrosymmetric polyphosphates featuring infinite one-dimensional (PO3)∞ chain, LiMP2O6 (M = Rb, Cs): Synthesis, structure and optical properties8Module-Guided Design Scheme for Deep-Ultraviolet Nonlinear Optical Materials195Ba3Mg3(BO3)3F3 polymorphs with reversible phase transition and high performances as ultraviolet nonlinear optical materials470Second-order nonlinear optical crystals with mixed anions250Removal of A-Site Alkali and Alkaline Earth Metal Cations in KBe2BO3F2-Type Layered Structures To Enhance the Deep-Ultraviolet Nonlinear Optical Capability46PbCdF(SeO 3 )(NO 3 ): A Nonlinear Optical Material Produced by Synergistic Effect of Four Functional Units52Synthesis, Structure, and Properties of the Non-Centrosymmeteric Compound LiNaRbB5O8(OH)23The linear and nonlinear optical response of CsGeX3 (X=Cl, Br, and I): The finite field and first-principles investigation26Transition metals doped fullerenes: structures – NLO property relationships26Y2(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 materials98Ba 3 Ca 4 (BO 3 ) 3 (SiO 4 )Cl: a new non-centrosymmetric complex alkaline-earth metal borosilicate chloride with a deep-ultraviolet cut-off edge19Exploration of the deep-ultraviolet nonlinear optical materials in the derivatives of KBe2BO3F27LiGeBO 4 : a nonlinear optical material with a balance between deep-ultraviolet cut-off edge and large SHG response induced by hand-in-hand tetrahedra21Rb 3 SbF 3 (NO 3 ) 3 : an excellent antimony nitrate nonlinear optical material with a strong second harmonic generation response fabricated by a rational multi-component design44Two Non-π-Conjugated Deep-UV Nonlinear Optical Sulfates268Targeting the Next Generation of Deep-Ultraviolet Nonlinear Optical Materials: Expanding from Borates to Borate Fluorides to Fluorooxoborates450CsSbF 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 Structure432New cadmium-selenium-oxyhalides: Noncentrosymmetric Cd5(SeO3)4Cl2(H2O) and centrosymmetric Cd2(SeO3)F2, Cd2(SeO3)(OH)Br17Four new deep ultraviolet borates with isolated B12O24 groups: Synthesis, structure, and optical properties9Refractive 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 Materials37Synthesis, characterization, and theoretical analysis of three new nonlinear optical materials K7MRE2B15O30 (M= Ca and Ba, RE= La and Bi)28Synthesis, Characterization and Optical Properties of Two Metal Borates Containing Two Types of Oxoboron Clusters2Two Deep Ultraviolet Hydrated Borate Crystals: Centrosymmetric LiRbB5O8(OH)·H2O and Non-Centrosymmetric K2B5O8(OH)·2H2O8Crystal structure and second harmonic generation in Bi2TeO5: An X-N study from synchrotron and neutron diffraction data8K9[B4O5(OH)4]3(CO3)X·7H2O (X = Cl, Br): Syntheses, Characterizations, and Theoretical Studies of Noncentrosymmetric Halogen Borate–Carbonates with Short UV Cutoff Edges16Poly(difluorophosphazene) as the First Deep‐Ultraviolet Nonlinear Optical Polymer: A First‐Principles Prediction35Poly(difluorophosphazene) as the First Deep‐Ultraviolet Nonlinear Optical Polymer: A First‐Principles Prediction14KBiCl2SO4: The First Bismuth Chloride Sulfate Being Second-Order Nonlinear Optical Active44New Members of SHG Active Dugganite Family, A3BC3D2O14 (A = Ba, Pb; B = Te, Sb; C = Al, Ga, Fe, Zn; D = Si, Ge, P, V): Synthesis, Structure, and Materials Properties30Centrosymmetric Rb2Mg3(SO4)4 and non-centrosymmetric Cs2Mg3(SO4)4 with a phase-matching nonlinear optical response35Nitrate nonlinear optical crystals: A survey on structure-performance relationships146Nontoxic KBBF Family Member Zn2BO3(OH): Balance between Beneficial Layered Structure and Layer Tendency81Sn2B5O9Cl: A Material with Large Birefringence Enhancement Activated Prepared via Alkaline‐Earth‐Metal Substitution by Tin255Sn2B5O9Cl: A Material with Large Birefringence Enhancement Activated Prepared via Alkaline‐Earth‐Metal Substitution by Tin33First-Principles Design and Simulations Promote the Development of Nonlinear Optical Crystals299Structural Origin of Thermally Induced Second Harmonic Generation Enhancement in RbNaMgP2O721Dielectric, piezoelectric and nonlinear optical properties of polar iodate BiO(IO3) from first-principles studies11A new iodate-phosphate Pb 2 (IO 3 )(PO 4 ) achieving great improvement in birefringence activated by (IO 3 ) − groups53NaRb3B6O9(OH)3(HCO3): A Borate-Bicarbonate Nonlinear Optical Material18Ba(B 2 OF 3 (OH) 2 ) 2 with well-ordered OH/F anions and a unique B 2 OF 3 (OH) 2 dimer30From centrosymmetric to noncentrosymmetric: intriguing structure evolution in d 10 -transition metal iodate fluorides36Inorganic planar π-conjugated groups in nonlinear optical crystals: review and outlook145Ca 2 B 5 O 9 Cl and Sr 2 B 5 O 9 Cl: Nonlinear Optical Crystals with Deep-Ultraviolet Transparency Windows46Structure-property relationship in nonlinear optical materials with π-conjugated CO3 triangles146Band-Gap Modulation of Nonlinear-Optical Fluorooxoborates by Controlling the F/B Ratios4

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  2. K2Pb3(CO3)3F2 and KCdCO3F: Novel Fluoride Carbonates with Layered and 3D Framework Structures

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  3. Preparation, nonlinear optical properties, and theoretical analysis of the non-centrosymmetric bismuth oxyfluoride, Bi 7 F 11 O 5

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  4. ChemInform Abstract: RbMgCO3F: A New Beryllium‐Free Deep‐Ultraviolet Nonlinear Optical Material.

    ChemInform · 2015-11-26

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  5. Bidenticity-Enhanced Second Harmonic Generation from Pb Chelation in Pb3Mg3TeP2O14

    Journal of the American Chemical Society · 2015-12-20

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