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RESEARCH PAPER · Journal of the American Chemical Society · 2023

NaRb 6 (B 4 O 5 (OH) 4 ) 3 (BO 2 ) Featuring Noncentrosymmetry, Chirality, and the Linear Anionic Group BO 2 –

Fenghua Ding, Kent J. Griffith, Weiguo Zhang, Shaoxin Cui, Chi Zhang, Yiran Wang, Kendall R. Kamp, Hongwei Yu, P. Shiv Halasyamani, Zhihua Yang, Shilie Pan, Kenneth Reinhard Poeppelmeier

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NaRb 6 (B 4 O 5 (OH) 4 ) 3 (BO 2 ) Featuring Noncentrosymmetry, Chirality, and the Linear Anionic Group BO 2 –OriginalKMB 4 O 6 F 3 (M = Co, Fe): two-dimensional magnetic fluorooxoborates with triangular lattices directed by triangular BO 3 units15Mg assists in modulating the dimensionalities of the anionic frameworks of borates1Recent progress in borate-based short-wavelength nonlinear optical crystals with boron–oxygen skeleton modification28Optimal Design of Mid-Infrared Nonlinear-Optical Crystals: From SrZnSnSe 4 to SrZnSiSe 423Target-Oriented Synthesis of Borate Derivatives Featuring Isolated [B3O3] Six-Membered Rings as Structural Features20Recent Progress in Crystalline Borates with Edge-Sharing BO4 Tetrahedra21Ultraviolet Crystal with Strong Optical Nonlinearity by Creating Halogen-Centered Secondary Building Blocks15Zn 2 HgP 2 S 8 : A Wide Bandgap Hg‐Based Infrared Nonlinear Optical Material with Large Second‐Harmonic Generation Response75Beyond π–π Stacking: Understanding Inversion Symmetry Breaking in Crystalline Racemates27Quadruple‐Bidentate Nitrate‐Ligated A 2 Hg(NO 3 ) 4 (A=K, Rb): Strong Second‐Harmonic Generation and Sufficient Birefringence59Quadruple‐Bidentate Nitrate‐Ligated A 2 Hg(NO 3 ) 4 (A=K, Rb): Strong Second‐Harmonic Generation and Sufficient Birefringence2ASn(C10H12N2O8)Cl·H2O (A = K, Rb): Nonlinear optical crystals with new distorted Sn(IV)-centered nitrogen-oxygen-chloride polyhedron and wide band gaps6Stereochemically Active Lone-Pair Containing Metal Substitution in Polar Axis toward a Giant Phase-Matchable Optical Nonlinear Silicate Crystal Li 3 (OH)PbSiO 462Ultrashort Phase‐Matching Wavelength and Strong Second‐Harmonic Generation in Deep‐UV‐Transparent Oxyfluorides by Covalency Reduction33Ultrashort Phase‐Matching Wavelength and Strong Second‐Harmonic Generation in Deep‐UV‐Transparent Oxyfluorides by Covalency Reduction3A I B 3 II C 2 III Q 6 VI X VII : A Thioborate Halide Family for Developing Wide Bandgap Infrared Nonlinear Materials by Coupling Planar [BS 3 ] and Polycations24Multifunctional Chiral d 10 ‐Metal Coordination Polymers: Tunable Photoluminescence and Efficient Second‐Harmonic Generation with Circular Dichroic Response18Achieving great optical anisotropy with the well-directed alignment of π-conjugated groups due to hydrogen bonds9“One stone two birds” design of borates featuring edge-sharing [BO 4 ] and different B–O configurations in one structure utilizing covalent tetrahedra8[(C 5 H 6 N 2 ) 2 H](Sb 4 F 13 ): a polyfluoroantimonite with a strong second harmonic generation effect60A nonlinear optical crystal with deep-ultraviolet transparency and appropriate birefringence achieved using π-conjugated confined [B 3 O 3 F 4 (OH)] 2−14Exploration of silver borates with diverse low-dimensional anion frameworks by introducing monovalent heteroanions6Galloborates as ultraviolet nonlinear optical crystals: advances and perspectives8Halide-driven polarity tuning and optimized SHG-bandgap balance in (C 4 H 11 N 2 )ZnX 3 (X = Cl, Br, I)34NaB(OH) 3 CH 3 : a deep-ultraviolet optical crystal with unprecedented methyl-modified [B(OH) 3 CH 3 ] units7New ultraviolet transparent rare-earth borates with enhanced birefringence induced by cation chemical substitution15Nh4ca[B5o7(Oh)4]·H2o: A Biaxial Mixed-Cation Pentaborate with Moderate Birefringence0Hierarchical van der Waals Assemblies to Boost Deep‐Ultraviolet Nonlinear‐Optical Capabilities in Boron Phosphate8Spontaneous Symmetry Breaking of Achiral Molecules Leading to the Formation of Homochiral Superstructures that Exhibit Mechanoluminescence3Spontaneous Symmetry Breaking of Achiral Molecules Leading to the Formation of Homochiral Superstructures that Exhibit Mechanoluminescence29Theoretical Investigation of Structural, Electronic and Optical Properties of Cs3MoO4(HCO3) with NLO Active Functional Units2Hg4(Te2O5)(SO4): A Giant Birefringent Sulfate Crystal Triggered by a Highly Selective Cation153Record Second-Harmonic Generation and Birefringence in an Ultraviolet Antimonate by Bond Engineering157A2Pb3[H2N(CH2COO)2]3Cl5 (A = K, Rb): Porous Crystals Constructed on [Pb3Cl5O6] Clusters with Comprehensive Nonlinear Optical Performance3Beyond conventional: Role of chiral metal–organic frameworks in asymmetric scenarios36Synthesis, Characterization and Optical Properties of Two Novel Metal Borates1NaRbB10O14(OH)4 and Na3CsB10O16(OH)2: Two Cases of Hydroxyborates with [B5Om(OH)n] Units and Deep Ultraviolet Cutoff Edges5An Unprecedented [BO2]‐Based Deep‐Ultraviolet Transparent Nonlinear Optical Crystal by Superhalogen Substitution32An Unprecedented [BO2]‐Based Deep‐Ultraviolet Transparent Nonlinear Optical Crystal by Superhalogen Substitution1M6[Cd2(CO3)2(B12O18)(OH)6] (M = K, Rb): Borate–Carbonates with Two CdCO3 Embedded in a Cyclic Oxoboron Anion10Nonlinear Optical Activity of a Chiral Organic–Inorganic ([(NH 3 CH 2 CH 2 ) 3 NH]) 2 [MnBr 5 ]Br 5 Photoluminescent and Piezoelectric Crystal10Structure‐Prediction‐Oriented Synthesis of Thiophosphates as Promising Infrared Nonlinear Optical Materials24Structure‐Prediction‐Oriented Synthesis of Thiophosphates as Promising Infrared Nonlinear Optical Materials1Theoretical insight on structure, electronic, and optical properties of two d 0–d 10 electron transition-metal oxyhalides SHG materials2Recent advances and future perspectives on rare-earth-based nonlinear optical materials with π-conjugated [XO3] (X = B, C, N) units67Hydrogen bond-derived symmetry transformation in hydroxyborates: Converting the nonlinearity from null to active7Cu(I)‐Induced ‘Click Reaction’ Involving Coordination and Covalent Assembly of Hybrid Borates for the Electrocatalytic CO 2 Reduction4Cu(I)‐Induced ‘Click Reaction’ Involving Coordination and Covalent Assembly of Hybrid Borates for the Electrocatalytic CO 2 Reduction11Polar Thiazole Derivative-Induced Second Harmonic Response in Hybrid Bismuth Chlorate with Reversible Photochromism9Toward Strong UV–Vis–NIR Second-Harmonic Generation by Dimensionality Engineering of Zinc Thiocyanates32NH 4 Ca[B 5 O 7 (OH) 4 ] H 2 O: A Biaxial Mixed‐Cation Pentaborate with Moderate Birefringence0Computer‐Aided Development of New Nonlinear Optical Materials38Computer‐Aided Development of New Nonlinear Optical Materials14Cationic Coordination Modification Drives Birefringence and Nonlinear Effect Double Lifting in Sulfate4Cooperation-doping cobalt and boron on MOF with double cone microrods structure to boost efficient nitrogen fixation in Zn-N2 batteries17Deep ultraviolet transparent borophosphates LiAB 2 P 2 O 9 (A = NH 4 , K) and LiNaB 2 P 2 O 8 (OH) 2 ·H 2 O exhibiting a moderate second-harmonic generation response4Bonding-Type-Driven Structural Transformation toward Novel Fluoroiodosulfates: Achieving Non-Centrosymmetry and Enhanced Optical Properties in K2(IO3F)SO30Bulk crystal growth and optical properties of a novel organic–inorganic hybrid nonlinear optical thiocyanate: [Mn(CH 3 CONH 2 ) 2 ] [Hg(SCN) 4 ]10Cation tuning in anionic framework hydroborates: tailored deep-ultraviolet optical crystals with large birefringence1CsBO(OH) 2 : a new hydroxyborate with the rare [BO(OH) 2 ] group and a deep ultraviolet cutoff edge3(NH 4 ) 2 Cd 2 Cl 3 F 3 and (NH 4 ) 2 Cd 2 Br 3 F 3 : The First Fluoride‐Containing d 10 Metal Mixed Halides Exhibiting Superior Ultraviolet Nonlinear Optical Properties28A Promising Deep Ultraviolet Nonlinear Optical Crystal Activated by the Ordered Structure Design39A Promising Deep Ultraviolet Nonlinear Optical Crystal Activated by the Ordered Structure Design3pH‐Dependent Switching Between Nonlinear‐Optical‐Active Nitrate‐Based Supramolecular Polymorphs27pH‐Dependent Switching Between Nonlinear‐Optical‐Active Nitrate‐Based Supramolecular Polymorphs2Review of KBe2BO3F2-like second-order nonlinear optical materials and their structure-performance relationships12Nanomaterials for Cryomedicine: Classification, Mechanisms, and Applications7Non-equivalent terminating roles of hydroxyl and fluorine in hydroxy/fluorooxo-borate optical functional materials2Exceptional Second Harmonic Generation in Ultraviolet Nonlinear Optical Oxyfluoroniobate Crystals via Structural Fingerprint Optimization of Polar Chains22Exceptional Second Harmonic Generation in Ultraviolet Nonlinear Optical Oxyfluoroniobate Crystals via Structural Fingerprint Optimization of Polar Chains8NH4B5O7(OH)2 and CsRbB10O14(OH)4·H2O: Two Hydroxyborates Feature Significant Optical Anisotropy and Contain 1∞[B5O7(OH)2] Chains1Anion-Ordered [B3O5(OH)2] Induced by Crystal Water with Deep Ultraviolet Transparency and Large Birefringence in Boron-Rich Borophosphates4Descriptors Assisted in Design High-performance Nonlinear Optical Materials with Donor-Acceptor Framework Systems0Research on Nonlinear Optical Materials Based on BO 3 and BO 4 Hydroxy Tetraborates4Hyperfine interactions and magnetic order in oxyborate Co3BO5 according to 10,11B and 59Co NMR data0Remarkable Birefringence Enhancement Enabled by π-Conjugated Cyanoguanidine Group Based on Anisotropic Molecule Coordination Approach8Reactive flux assisted metal oxide–boron–sulfur routine for syntheses of CsRESiS 4 (RE = Sm, Gd–Ho): featuring nonlinear optical activity and wide band gaps5Unlocking Strong Second‐Harmonic Generation in Deep‐UV‐Transparent Polar Organic Sulfonates through Connectivity Regulation2Unlocking Strong Second‐Harmonic Generation in Deep‐UV‐Transparent Polar Organic Sulfonates through Connectivity Regulation6A Deep-Ultraviolet Transparent Nonlinear Optical Hydrogen-Bonded Organic Framework21Solvent and Achiral Crystalline Phase-Induced Chiral Resolution of CsCuCl 31Design, Hydrothermal Synthesis, Crystal Structure, and Antioxidant Properties of Non‐Centrosymmetric SbF 32Halide anion-mediated crystal structure engineering in guanidinoacetic acid halides for tunable birefringence0Stable lead succinate-iodides with strong second-harmonic generation response and large birefringence0Synergism of [C 2 N 4 H 7 S] cations and anionic modulators: tailoring second-order nonlinear optics and birefringence in organic–inorganic crystals5Bonding-type-driven structural transformation toward novel fluoroiodosulfates: Achieving non-centrosymmetry and enhanced optical properties in K2(IO3F)SO30Topology-Guided Discovery of BaIn 2 Si 7 P 12 : A Quaternary Diamond-like Framework Phosphide with Giant Second-Harmonic Generation and High Laser-Induced Damage Threshold22Pyrazole‐Protected Heteronuclear Rare‐Earth Boron‐Oxo Cluster Cage With Tunable Luminescence0From Coplanarity to Coaxiality: A Linearity-Oriented Design Paradigm for Ultrahigh Ultraviolet Birefringent Inorganic Crystals4Symmetry breaking promoting intersystem crossing for room temperature phosphorescence2An Integrated Machine Learning Workflow Based on Deep Generative Models for Discovery of Inorganic Nonlinear Optical Crystals0Regulating B‐O Arrangement Boosts Anisotropy in a Simple Rubidium Borate, Leading to a High‐Performance UV NLO Crystal0Fluorine‐Driven Chemical Scissor Effect in Scandium Borates: Structural Evolution with Retained Optically Active Motifs0Non-π-conjugated tetrahedra-based optical crystals: The improvement of the linear and nonlinear optical properties by the combination of trigonal pyramidal [XO3] (X = I, Se, Te) units1Record Second-Harmonic Generation and Exceptional Optical Anisotropy in High-Symmetry 1D Polar Perovskites1A Two‐Dimensional Organic Salt With a Deep‐Ultraviolet Cutoff Edge and Strong Second‐Harmonic Generation0A Two‐Dimensional Organic Salt With a Deep‐Ultraviolet Cutoff Edge and Strong Second‐Harmonic Generation0The Multi‐Scale Paradigm: An Integrated Design Logic for Nonlinear Optical Crystals1The Multi‐Scale Paradigm: An Integrated Design Logic for Nonlinear Optical Crystals0Unlocking Hidden Potential via Reprogrammed Mineral Structures: How Anionic Transformation Achieves Ultraviolet Nonlinear Optical Performance0FBB-Directed Open Framework Evolution in Alkali Metal Borates: Synthesis and Structure Property Relationships of NaRb2B9O150

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  44. Theoretical insight on structure, electronic, and optical properties of two d 0–d 10 electron transition-metal oxyhalides SHG materials

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  45. Recent advances and future perspectives on rare-earth-based nonlinear optical materials with π-conjugated [XO3] (X = B, C, N) units

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  46. Hydrogen bond-derived symmetry transformation in hydroxyborates: Converting the nonlinearity from null to active

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  47. Cu(I)‐Induced ‘Click Reaction’ Involving Coordination and Covalent Assembly of Hybrid Borates for the Electrocatalytic CO 2 Reduction

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  48. Cu(I)‐Induced ‘Click Reaction’ Involving Coordination and Covalent Assembly of Hybrid Borates for the Electrocatalytic CO 2 Reduction

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  49. Polar Thiazole Derivative-Induced Second Harmonic Response in Hybrid Bismuth Chlorate with Reversible Photochromism

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  50. Toward Strong UV–Vis–NIR Second-Harmonic Generation by Dimensionality Engineering of Zinc Thiocyanates

    Journal of the American Chemical Society · 2024-10-07

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