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RESEARCH PAPER · Coordination Chemistry Reviews · 2019

Nitrate nonlinear optical crystals: A survey on structure-performance relationships

Xiaomeng Liu, Pifu Gong, Yi Jin Yang, Gaomin Song, Zheshuai Lin

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Nitrate nonlinear optical crystals: A survey on structure-performance relationshipsOriginalEmergent Deep‐Ultraviolet Nonlinear Optical Candidates324Neue Kandidaten für die nichtlineare Optik im Tief‐UV‐Bereich43Synthesis, structure, and third-harmonic generation measurements of a mixed alkali metal iodate, KLi2(IO3)323Gd(NO 3 )(Se 2 O 5 )·3H 2 O: a nitrate–selenite nonlinear optical material with a short ultraviolet cutoff edge28Inorganic planar π-conjugated groups in nonlinear optical crystals: review and outlook145Mixed-metal thiophosphate CuCd 3 PS 6 : an infrared nonlinear optical material activated by its three-in-one tetrahedra-stacking architecture33NaK 15 [B 4 O 5 (OH) 4 ] 6 (NO 2 ) 2 (CO 3 )·7H 2 O: assembly of an unprecedented mixed anion inorganic compound via a facile hydrothermal route4Second-order nonlinear optical materials with a benzene-like conjugated π system49Structure-property relationship in nonlinear optical materials with π-conjugated CO3 triangles146Molecular Construction from AgGaS 2 to CuZnPS 4 : Defect-Induced Second Harmonic Generation Enhancement and Cosubstitution-Driven Band Gap Enlargement96BiGa(SeO3)3: A Phase Matchable SHG Material Achieved by Cation Substitution19A review on phase transition and structure-performance relationship of second-order nonlinear optical polymorphs107A(H3C3N3O3)(NO3) (A = K, Rb): Alkali-Metal Nitrate Isocyanurates with Strong Optical Anisotropy47Inherent laws between tetrahedral arrangement pattern and optical performance in tetrahedron-based mid-infrared nonlinear optical materials130Structure-property survey and computer-assisted screening of mid-infrared nonlinear optical chalcohalides113First-Principles High-Throughput Screening Pipeline for Nonlinear Optical Materials: Application to Borates106The study of structure evolvement of KTiOPO4 family and their nonlinear optical properties98Ba(MoO 2 F) 2 (QO 3 ) 2 (Q = Se, Te): Partial Fluorination of MoO 6 Octahedra Enabling Two Polar Solids with Strong and Phase Matchable SHG Response69Single crystal growth and the electronic structure of Rb2Na(NO3)3: Experiment and theory15Chiral Template‐Driven Macroscopic Chirality Control: Structure‐Second‐Harmonic Generation Properties Relationship24[GaF(H 2 O)][IO 3 F]: a promising NLO material obtained by anisotropic polycation substitution42Ba 2 [FeF 4 (IO 3 ) 2 ]IO 3 : a promising nonlinear optical material achieved by chemical-tailoring-induced structure evolution8Deep-ultraviolet transparent alkali metal–rare earth metal sulfate NaY(SO 4 ) 2 ·H 2 O as a nonlinear optical crystal: synthesis and characterization28From BaCl 2 to Ba(NO 3 )Cl: significantly enhanced birefringence derived from π-conjugated [NO 3 ]14A comprehensive survey on nonlinear optical phosphates: Role of multicoordinate groups106Second-order nonlinear optical property of the ultraviolet transparent alkali metal-rare earth metal carbonate Na3Y(CO3)3.3H2O5Discovery of NLO Semiorganic (C 5 H 6 ON) + (H 2 PO 4 ) − : Dipole Moment Modulation and Superior Synergy in Solar-Blind UV Region270Molecular Engineering toward an Enlarged Optical Band Gap in a Bismuth Sulfate via Homovalent Cation Substitution26UV 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– Chromophore14High-Performance Second-Harmonic-Generation (SHG) Materials: New Developments and New Strategies323Structure-performance relationship in tri-coordinated nonlinear optical materials toward optimal second harmonic generation and phase matching31Zintl based superatom P7M2 (M=Li, Na, K & Be, Mg, Ca) clusters with excellent second and third-order nonlinear optical response24A Congruent‐Melting Mid‐Infrared Nonlinear Optical Vanadate Exhibiting Strong Second‐Harmonic Generation22A Congruent‐Melting Mid‐Infrared Nonlinear Optical Vanadate Exhibiting Strong Second‐Harmonic Generation63Strong 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 Modification9A New Nonlinear Optical Material with N(CN)2− Anion2Machine Learning with Multilevel Descriptors for Screening of Inorganic Nonlinear Optical Crystals35Enhancement of band gap and birefringence induced via π -conjugated chromophore with “tail effect”28Complex coordinated functional groups: A great genes for nonlinear optical materials64A 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 Transparency96Phase Matchability Transformation in the Infrared Nonlinear Optical Materials with Diamond‐Like Frameworks63KF·B(OH) 3 : a KBBF-type material with large birefringence and remarkable deep-ultraviolet transparency33KRE(CO 3 ) 2 (RE = Eu, Gd, Tb): new mixed metal carbonates with strong photoluminescence and large birefringence15LiSrSbS 3 : parallel configurations of lone pair electrons inducing a large birefringence16Performance of optical materials with the derivative of planar π-conjugated groups: Recent advances and future prospects37Promising Deep‐Ultraviolet Birefringent Materials via Rational Design and Assembly of Planar π‐Conjugated [B(OH)3] and [B3O3(OH)3] Functional Species6Promising Deep‐Ultraviolet Birefringent Materials via Rational Design and Assembly of Planar π‐Conjugated [B(OH)3] and [B3O3(OH)3] Functional Species83RbBiP2S6: A Promising IR Nonlinear Optical Material with a Giant Second-Harmonic Generation Response Designed by Aliovalent Substitution80Directional Construction of New Nonlinear Optical Bifunctional Units through Molecular Engineering Design Inspired by the B 3 O 7 -Typed Configuration23Synthesis, characterization and theoretical calculations of four chiral schiff base materials for second harmonic generation applications7Crystal Growth of K2HCO3F·H2O with a Very Short Cutoff Edge and Large Birefringence17Oxychalcogenides as Promising Ultraviolet Nonlinear Optical Candidates: Experimental and Theoretical Studies of AEGeOS2(AE = Sr and Ba)24Dual-Ligand-Oriented Design of Noncentrosymmetric Complexes with Nonlinear-Optical Activity11High-peak-power picosecond deep-UV laser sources16RE(OH) 2 NO 3 (RE = Tb, Dy, Ho, and Er): Synthesis and Nonlinear Optical Properties of Water-Resistant Lanthanide Hydroxide Nitrates15Achieving Large Second Harmonic Generation Effects via Optimal Planar Alignment of Triangular Units64Perfectly Encoding π‐Conjugated Anions in the RE5(C3N3O3)(OH)12 (RE=Y, Yb, Lu) Family with Strong Second Harmonic Generation Response and Balanced Birefringence91Perfectly Encoding π‐Conjugated Anions in the RE5(C3N3O3)(OH)12 (RE=Y, Yb, Lu) Family with Strong Second Harmonic Generation Response and Balanced Birefringence18Enhanced Second-Harmonic-Generation Response in a KH2PO4-Type Calcium Nitrate Carboxylate with Unusual Three-Dimensional Inorganic and Organic Connections3M(NH2SO3)2·xH2O (M = Ca, Pb, x = 0, 1, 4): Effect of Hydrogen Bonding on Structural Transformations and Second Harmonic Generation of Metal Sulfamates26Compounds consisting of coplanar π-conjugated B3O6-typed structures: An emerging source of ultraviolet nonlinear optical materials20Polarization-dependent second harmonic generation in peptide crystals: effects of molecular packing5Solvent-free synthesis of magnesium phosphite-oxalates that show second-harmonic generation responses5Rational Design of the First Ammonium Magnesium Borate with Deep-Ultraviolet Cutoff Edge and Moderate Birefringence and Further Investigation into the Nature of Ammonium in the Borate System15Two Carboxylate-Cyanurates with Strong Optical Anisotropy and Large Band Gaps6Machine Learning Regression Model for Predicting the Formation Energy of Nonlinear Optical Crystals5[C(NH2)2NHNO2][C(NH2)3](NO3)2: A Mixed Organic Cationic Hybrid Nitrate with an Unprecedented Nonlinear-Optical-Active Unit30Nonlinear optical crystals KPb3(3-C5H4NCOO)2Br5 and KPb3(3-C5H4NCOO)2Cl3Br2 with new Pb-centered nitrogen-halide polyhedrons obtained by the halide anionic substitution4Host–Guest Symmetry Matching in Two Crystalline Magnesium Sulfate Oxalates Obtained Via a Solvent-Free Route8Sb4O3(TeO3)2(HSO4)(OH): An Antimony Tellurite Sulfate Exhibiting Large Optical Anisotropy Activated by Lone Pair Stereoactivity30Stereochemically Active Tin(II)‐Induced Enhancement of Birefringence in SnIISnIV(PO4)2 and SrSn(PO4)PO2(OH)23Theoretical Prediction‐Assisted Synthesis and Characterization of Infrared Nonlinear Optical Material NaSrBS324Host–Guest Symmetry and Charge Matching in Glycine-Templated Metal Sulfate–Oxalates Obtained by a Solvent-Free Method9Roadmap on nonlinear optics–focus on Chinese research12Pb(OH)I: A lead(II)-based oxyhalide with a large birefringence5Design Principles for Noncentrosymmetric Materials23From Monofluorophosphates A2PO3F to Difluorophosphates APO2F2 (A = alkali metal): Design of a Potential Deep-Ultraviolet Nonlinear Optical Materials System with a Shortened Phase-Matching Wavelength41Quadruple‐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 Birefringence2Highly Birefringent d 0 Transition Metal Fluoroantimonite in the Mid Infrared Band: Order–Disorder Regulation by Cationic Size83Nitride Wide-Bandgap Semiconductors for UV Nonlinear Optics3New Functional Groups Design toward High Performance Ultraviolet Nonlinear Optical Materials95Simple scaling of the empirical London dispersion corrections in DFT geometry optimizations of prototypical nonlinear optical crystals5Synthesis, crystal structure, Hirshfeld surface analysis, energy framework, NBO-NLO analysis of new ethyl 2-benzoyl-3,3-bis(methylthio)acrylate2Birefringent Dispersion Optimization to Achieve Superior Nonlinear Optical Phase Matching in Deeper Solar‐Blind UV Band from KH 2 PO 4 to BeH 3 PO 516Hydroxyl-Driven Enhanced Birefringence in Borophosphates3Advances in Solid-State Nonlinear Optical Materials: From Fundamentals to Applications61[(C 5 H 6 N 2 ) 2 H](Sb 4 F 13 ): a polyfluoroantimonite with a strong second harmonic generation effect60Fully tricoordinated assembly unveils a pioneering nonlinear optical crystal (SbTeO 3 )(NO 3 )25K, Rb-hydroxyborates series with deep-ultraviolet KRbB 5 O 8 (OH) possessing moderate second harmonic generation response0Shooting short-wavelength nonlinear optical materials with targeted balance performances in hydroxyborates through first-principles high-throughput screening4Solvent-free synthesis and optical properties of two open-framework metal oxalates with zeolitic ABW and diamondoid topologies3Synthesis, structures and properties of two new nitrate optical materials: Rb3ZnNO3Cl4 and Rb5Na(NO3)4Cl24Toward the ultraviolet (UV) or deep-UV nonlinear optical crystals: The combination of π-conjugated planar [XY3] and tetrahedral [XY4]80From Cd(SCN) 2 (CH 4 N 2 S) 2 to Cd(SCN) 2 (C 4 H 6 N 2 ) 2 : Controlling Sulfur Content in Thiocyanate Systems Significantly Improves the Overall Performance of UV Nonlinear Optical Materials9From Cd(SCN) 2 (CH 4 N 2 S) 2 to Cd(SCN) 2 (C 4 H 6 N 2 ) 2 : Controlling Sulfur Content in Thiocyanate Systems Significantly Improves the Overall Performance of UV Nonlinear Optical Materials50Soaking the Rare-Earth Carbonates for a Change: An Alternative Approach to Explore Carbonate Nonlinear Optical Crystals2Nonlinear optical, dielectric, and piezoelectric properties of hexagonal fluorocarbonates ABCO3F (A: K, Rb, Cs; B: Mg, Ca, Sr, Zn, Cd, Pb) from first principles3[C(NH2)3]10(MoO3)10(PO4)2(HPO4)2·5H2O: Synergy effect of multiple functional units results in significant birefringence10[B3O3F4(OH)]2–: A Versatile Hydroxyfluorooxoborate Heteroanion Producing Compounds with Highly Tunable Optical Anisotropy19Cs2Pb(CO3)2: a novel mixed-metal carbonate with rare Pb-C-O one-dimensional chain0Achieving the Birefringence Optimization by Methyl Modulation in Organic Nonlinear Optical Crystals15Constructing Ultraviolet Nonlinear Optical Crystals with Superior Thermal Stability Based on Organic π-Conjugated [HCOO] Groups6Exploration of the structure, electronic and optical properties of AB 2(PO3)5 polyphosphates: a first-principle approach3From B 3 O 3 (OH) 3 to B 3 O 3 F 3 : Uncovering Series of New Functional Units Based on [BO 2 F] Beneficial for Deep‐Ultraviolet Birefringence1Recent progress in nonlinear optical molybdenum/tungsten tellurites: Structures, crystal growth and characterizations34Machine Learning Guided Discovery of Non‐Linear Optical Materials14Two l -Proline Cadmium Thiocyanates with Moderate Second-Harmonic-Generation Responses and Large Birefringences13[C(NH2)3]2S2O6: A SBBO-Like Dithionate Crystal with Large Optical Anisotropy14Emergent Mid‐Infrared Nonlinear Optical Candidates With Targeted Balance Performances17Four noncentrosymmetric molybdophosphates discovered by a chemical substitution strategy4RbB 7 O 10 (OH) 2 and NaB 11 O 16 (OH) 2 : alkali metal hydroxyborates with two-dimensional layered structures and large birefringence1Highly Polarizable Phosphorus‐Centered Tetrahedra and π‐Conjugated Carbon‐Centered Triangular Moieties Inducing Large Anisotropy and Short‐Wavelength Phase‐Matching23Lithium Borate-Squarate: An Organic–Inorganic Groups-Mixed Nonlinear Optical Crystal with Large Birefringence4Unveiling the Intrinsic Superior SHG Performance of Ce 4+ Fluoride Masked by Subtle Ce 3+ Impurity and Its Effective Removal13Unveiling the Intrinsic Superior SHG Performance of Ce4+ Fluoride Masked by Subtle Ce3+ Impurity and Its Effective Removal2pH‐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 relationships13Sb2(TeO4)(SO4): An Anhydrous Tellurite Sulfate with Large Birefringence and Enhanced Thermal Stability8Hg3(TeO3)2(NO3)2 and Hg3(Te2O5)2(NO3)2: The First Two Hg‐Based Tellurite Nitrate Unit‐Mixed Crystals with Large Optical Anisotropy16First-Principles High-Throughput Screening Combined with Experimental Synthesis to Find Vanadate Nonlinear Optical Material BiCa2VO64Designing a 3‐Hydroxypropane‐1‐Sulfonate Deep‐Ultraviolet Nonlinear Optical Crystal9Hybrid Bismuth Halide with Rich Polymorphism and Second Harmonic Generation Response8The birefringence optimization by hydroxyl in organic nonlinear optical crystals3Promising UV/DUV nonlinear optical materials with X-membered (X = multiples of 6) rings in anhydrous inorganic borates20Enhancing Birefringence via a Planar‐Conformation‐Locking Strategy3Ag(Te2O3)(PO4): The first Ag-containing phosphate-tellurite nonlinear optical crystal featuring novel zigzag layered structure0A one-pot method in water to synthesize a new cyanurate K(H 2 C 3 N 3 O 3 )·H 2 O with large birefringence2Symmetry‐Aware Equivariant Network for Discovering SHG‐Active Materials5Chiral calcium thiocyanate hybrids: amino acid-enabled structural diversity and second-harmonic generation0Isoniazid nitrate: synergistic dual π-conjugation triggering prominent second-harmonic generation0First Principles Calculations of Structures, Mechanical and Vibrational Properties of Nonlinear Optical LiZnCO3(OH) and NaZnCO3(OH) Crystals0Synergistic Enhancement of Optical Anisotropy in Nitrate Sulfamate for UV Applications: Role of Functional Group Alignment and Hydrogen Bond Network1Steric hindrance and hydrogen-bond networks synergistically directing molecular alignment for high-performance ultraviolet birefringent1A 3 Zr 2 (PS 4 )(P 2 S 7 ) 2 (A = K, Rb, Cs) Synthesized by the Metal Oxide-Boron-Chalcogen Routine: A Series of Zirconium-Based Thiophosphate Nonlinear Optical Crystals Featuring PS 4 Tetrahedron and P 2 S 7 Dimer0Symmetry Breaking Induced by Hydration-Number Tuning Enables Second-Order Nonlinear Optical Responses in Lanthanum Sulfate Hydrates0Designing Novel Solar‐Blind Ultraviolet Nonlinear Optical Crystals Based on Local Proton Distribution Complementary Effect0Designing Novel Solar‐Blind Ultraviolet Nonlinear Optical Crystals Based on Local Proton Distribution Complementary Effect0Borophosphate-based second-order nonlinear optical materials: Advances in structural diversity and optical performance0MAlB3O6F2 (M = Ca and Pb): Two New Fluoroaluminoborates Featuring π-Conjugated [BO3] and [AlO4F2] Units with Large Birefringence0

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  3. Synthesis, structure, and third-harmonic generation measurements of a mixed alkali metal iodate, KLi2(IO3)3

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  6. Mixed-metal thiophosphate CuCd 3 PS 6 : an infrared nonlinear optical material activated by its three-in-one tetrahedra-stacking architecture

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  35. Zintl based superatom P7M2 (M=Li, Na, K & Be, Mg, Ca) clusters with excellent second and third-order nonlinear optical response

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  36. A Congruent‐Melting Mid‐Infrared Nonlinear Optical Vanadate Exhibiting Strong Second‐Harmonic Generation

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  37. A Congruent‐Melting Mid‐Infrared Nonlinear Optical Vanadate Exhibiting Strong Second‐Harmonic Generation

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  38. Strong SHG Responses in a Beryllium‐Free Deep‐UV‐Transparent Hydroxyborate via Covalent Bond Modification

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  41. Machine Learning with Multilevel Descriptors for Screening of Inorganic Nonlinear Optical Crystals

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  42. Enhancement of band gap and birefringence induced via π -conjugated chromophore with “tail effect”

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  43. Complex coordinated functional groups: A great genes for nonlinear optical materials

    Chinese Chemical Letters · 2021-12-03

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  44. A Lanthanum Ammonium Sulfate Double Salt with a Strong SHG Response and Wide Deep‐UV Transparency

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  45. A Lanthanum Ammonium Sulfate Double Salt with a Strong SHG Response and Wide Deep‐UV Transparency

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  46. Phase Matchability Transformation in the Infrared Nonlinear Optical Materials with Diamond‐Like Frameworks

    Advanced Optical Materials · 2021-12-30

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  47. KF·B(OH) 3 : a KBBF-type material with large birefringence and remarkable deep-ultraviolet transparency

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  48. KRE(CO 3 ) 2 (RE = Eu, Gd, Tb): new mixed metal carbonates with strong photoluminescence and large birefringence

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  49. LiSrSbS 3 : parallel configurations of lone pair electrons inducing a large birefringence

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  50. Performance of optical materials with the derivative of planar π-conjugated groups: Recent advances and future prospects

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