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RESEARCH PAPER · Coordination Chemistry Reviews · 2018

Recent advances in ultraviolet and deep-ultraviolet second-order nonlinear optical crystals

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Recent advances in ultraviolet and deep-ultraviolet second-order nonlinear optical crystalsOriginalBa 2 ZnSc(BO 3 ) 3 and Ba 4 Zn 5 Sc 2 (BO 3 ) 8 : first examples of borates in the Zn–Sc–B–O system featuring special structure configurations15BaLiZn 3 (BO 3 ) 3 : a new member of the KBe 2 BO 3 F 2 family possessing dense BO 3 triangles and the smallest interlayer distance16The first investigation of europium silicate melilite for second-order nonlinear optical application: experimental and theoretical studies29Li3.366Mg0.317B2O5: The first pyroborate in the Li2O-MgO-B2O3 system1Expanding Frontiers of Ultraviolet Nonlinear Optical Materials with Fluorophosphates265Fluorooxoborates: Ushering in a New Era of Deep Ultraviolet Nonlinear Optical Materials102Vacuum Ultraviolet Light-Generating Metasurface124Li2BaSc(BO3)2F and LiBa2Pb(BO3)2F with Layered Structures featuring Special Li−O/F Configurations11Ba 3 B 10 O 17 F 2 ·0.1KF: the first mixed alkali/alkaline-earth metal fluorooxoborate with unprecedented double-layered B–O/F anionic arrangement17Ba 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 edge19Cs 2 CdV 2 O 6 Cl 2 and Cs 3 CdV 4 O 12 Br: two new non-centrosymmetric oxyhalides containing d 0 and d 10 cations and exhibiting second harmonic generation activity19Exploration of the deep-ultraviolet nonlinear optical materials in the derivatives of KBe2BO3F27Growth and theoretical study on the deep-ultraviolet transparent β-CsBa 2 (PO 3 ) 5 nonlinear optical crystal10Li 2 Na 2 [B 12 O 19 (OH) 2 ]: a new open framework borate with a pcu-type net constructed from large cyclic dodeca-oxoboron units8Two alkali calcium borates exhibiting second harmonic generation and deep-UV cutoff edges3Li2CsB7O10(OH)4: A Deep-Ultraviolet Nonlinear-Optical Mixed-Alkaline Borate Constructed by Unusual Heptaborate Anions98Zeolitic Open-Framework Borates with Noncentrosymmetric Structures and Nonlinear Optical Properties24Synthesis, characterization, and theoretical analysis of three new nonlinear optical materials K7MRE2B15O30 (M= Ca and Ba, RE= La and Bi)28BaB 2 O 3 F 2 : A Barium Fluorooxoborate with a Unique [B 2 O 3 F] − Layer and Short Cutoff Edge38KBiCl2SO4: The First Bismuth Chloride Sulfate Being Second-Order Nonlinear Optical Active44First-principle study on structural, linear and nonlinear optical properties of selenocyanate complex ZnCd(SeCN)4 crystal6Синтез и характеризация нового двойного бората рубидия–гольмия Rb3HoB6O121Centrosymmetric Rb2Mg3(SO4)4 and non-centrosymmetric Cs2Mg3(SO4)4 with a phase-matching nonlinear optical response35Research and Development of Zincoborates: Crystal Growth, Structural Chemistry and Physicochemical Properties20Nitrate nonlinear optical crystals: A survey on structure-performance relationships146Sr 5 TeO 2 (BO 3 ) 4 and NaSr 5 (BO 3 )(SiO 4 ) 2 : two inorganic metal borate derivatives with diverse zero dimensional anions21CsAlB 3 O 6 F: a beryllium-free deep-ultraviolet nonlinear optical material with enhanced thermal stability153Generating Third Harmonic Vacuum Ultraviolet Light with a TiO 2 Metasurface118Dielectric, piezoelectric and nonlinear optical properties of polar iodate BiO(IO3) from first-principles studies11First-principles investigation of the ferroelectric, piezoelectric and nonlinear optical properties of LiNbO3-type ZnTiO328K5(W3O9F4)(IO3): An Efficient Mid-Infrared Nonlinear Optical Compound with High Laser Damage Threshold114Emergent Deep‐Ultraviolet Nonlinear Optical Candidates324Neue Kandidaten für die nichtlineare Optik im Tief‐UV‐Bereich43Experimental and theoretical studies of the ternary thiophosphate PbPS 3 featuring ethane-like [P 2 S 6 ] 4− units15Gd(NO 3 )(Se 2 O 5 )·3H 2 O: a nitrate–selenite nonlinear optical material with a short ultraviolet cutoff edge28Incorporating rare-earth cations with moderate electropositivity into iodates for the optimized second-order nonlinear optical performance17Inorganic planar π-conjugated groups in nonlinear optical crystals: review and outlook145Large optical polarizability causing positive effects on the birefringence of planar-triangular BO 3 groups in ternary borates18Second-order nonlinear optical materials with a benzene-like conjugated π system49Similarities and differences between Mn( ii ) and Zn( ii ) coordination polymers supported by porphyrin-based ligands: synthesis, structures and nonlinear optical properties24Structure-property relationship in nonlinear optical materials with π-conjugated CO3 triangles146Synthesis, Crystal Structure, and Characterization of a Noncentrosymmetric Sulfate Cs2Ca2(SO4)320Enhancement of Second-Order Optical Nonlinearity in a Lutetium Selenite by Monodentate Anion Partial Substitution58ZnIO3F: Zinc Iodate Fluoride with Large Birefringence and Wide Band Gap57Synthesis, characterizations and theoretical analysis of a noncentrosymmetric sulfate8Aliovalent-substituted synthesis for a non-centrosymmetric phosphate with enhanced nonlinear-optical response5KInSi1.32Sn0.68Se6: An Infrared Nonlinear Optical Material Containing Three Types of Tetrahedral Units19Synthesis, crystal structures and optical properties of open-framework gallium phosphates: NaGa3F4(PO4)2(H2O)2 and AGa2P2O7(OH)3(H2O) (A = K, Rb)1A 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– Units63AGa 3 F 6 (SeO 3 ) 2 (A = Rb, Cs): A New Type of Phase-Matchable Hexagonal Tungsten Oxide Material with Strong Second-Harmonic Generation Responses63Inherent 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 chalcohalides113Giant 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 )57Effects of the atomic number of alkali atom and pore size of graphyne on the second‐order nonlinear optical response of superalkali salts of graphynes OM3 +@ GYs −(M = Li, Na, and K)18Theoretical investigation of superalkali clusters M2OCN and M2NCO (where M=Li, Na, K) as excess electron system with significant static and dynamic nonlinear optical response34Sb6O7(SO4)2: A Promising Ultraviolet Nonlinear Optical Material with an Enhanced Second‐Harmonic‐Generation Response Activated by SbIII Lone‐Pair Stereoactivity62[GaF(H 2 O)][IO 3 F]: a promising NLO material obtained by anisotropic polycation substitution42A new acentric borate–nitrate Cs 3 B 8 O 13 (NO 3 ) with interpenetrating porous 3D covalent and ionic lattices8Ba 2 [FeF 4 (IO 3 ) 2 ]IO 3 : a promising nonlinear optical material achieved by chemical-tailoring-induced structure evolution8Breaking through the “3.0 eV wall” of energy band gap in mid-infrared nonlinear optical rare earth chalcogenides by charge-transfer engineering144Computationally 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 characterization28Enhanced birefringence and suppressed second harmonic generation response mechanism in nonlinear optical materials via structural fine-tuning9Recent advances of oxyfluorides for nonlinear optical applications69Synthesis, characterization and theoretical investigation of a new chalcohalide, Ba 4 GaS 4 F 311Three mixed-alkaline-metal borates with {Li@B 12 O x (OH) 24− x } ( x = 18, 22) clusters: from isolated oxoboron cluster to unusual layer11Zn(NH 3 )CO 3 : a “three-in-one” UV nonlinear optical crystal built by a polar molecule bonding strategy18Ba3Sb2(PO4)4 and Cd3Sb2(PO4)4(H2O)2: Two New Antimonous Phosphates with Distinct [Sb(PO4)2] Structure Types and Enhanced Birefringence37A comprehensive survey on nonlinear optical phosphates: Role of multicoordinate groups106A Polar Material with Facility of Crystal Growth and a Large Second-Harmonic Generation Response3Large Second-Harmonic Response and Giant Birefringence of CeF 2 (SO 4 ) Induced by Highly Polarizable Polyhedra248Prediction of Novel van der Waals Boron Oxides with Superior Deep‐Ultraviolet Nonlinear Optical Performance43Prediction of Novel van der Waals Boron Oxides with Superior Deep‐Ultraviolet Nonlinear Optical Performance6Second-order nonlinear optical property of the ultraviolet transparent alkali metal-rare earth metal carbonate Na3Y(CO3)3.3H2O5Molecular 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 materials111Two Chiral Metal Complex Templated Aluminoborates Constructed from Three Types of Oxoboron Clusters17First-principles investigation of the elastic, photocatalytic and ferroelectric properties of LiNbO3-type LiSbO3 under high pressure3Be2(BO3)(IO3): The First Anion‐mixed Van der Waals Member in the KBe2BO3F2 Family with a Very Strong Second Harmonic Generation Response130Be2(BO3)(IO3): The First Anion‐mixed Van der Waals Member in the KBe2BO3F2 Family with a Very Strong Second Harmonic Generation Response8Structure-performance relationship in tri-coordinated nonlinear optical materials toward optimal second harmonic generation and phase matching31Exploring Deep-UV Nonlinear Optical Materials with Enhanced Second Harmonic Generation Response and Birefringence in Fluoroaluminoborate Crystals69CsBaB9O15: a high performance ultraviolet nonlinear optical material activated by the peculiar double layered configuration80Linear and Nonlinear Optical Properties of Centrosymmetric Sb 4 O 5 SO 4 and Noncentrosymmetric Sb 4 O 4 (SO 4 )(OH) 2 Induced by Lone Pair Stereoactivity55Solvothermal Syntheses of Three-Dimensional Open-Framework Thioantimonates Displaying Nonlinear Optical Responses5Heterobimetallic Cluster‐Based Coordination Polymers: Assembly, Structures and Third‐Order Nonlinear Optical Properties4A Congruent‐Melting Mid‐Infrared Nonlinear Optical Vanadate Exhibiting Strong Second‐Harmonic Generation22A Congruent‐Melting Mid‐Infrared Nonlinear Optical Vanadate Exhibiting Strong Second‐Harmonic Generation63The application and development of the first principles calculation in nonlinear optical materials1Noncentrosymmetric Rb3(COOH)3(H3BO3)2 vs Centrosymmetric Cs3(COOH)3(H3BO3)214Strong 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 Modification9Borate nonlinear optical single crystal surface finishing by argon cluster ion sputtering25An Overview on Recent Trends in Deep‐Ultraviolet (DUV) and Ultraviolet (UV) Nonlinear Optical Crystals25Syntheses, Structures and Properties of Alkali and Alkaline Earth Metal Diamond-Like Compounds Li2MgMSe4 (M = Ge, Sn)12Constructing a simple Cone–Chain motif to significantly enhance the first hyperpolarizability of horn-shaped carbon nanocones0From CeF2(SO4)·H2O to Ce(IO3)2(SO4): Defluorinated Homovalent Substitution for Strong Second-Harmonic-Generation Effect and Sufficient Birefringence53Complex 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 Transparency96Recent Development of Non-π-Conjugated Deep Ultraviolet Nonlinear Optical Materials106(C 3 N 6 H 7 ) 2 SiF 6 ·H 2 O: an ultraviolet birefringent crystal exceeding the intrinsic energy gap of an organic reagent38A 2 B 6 O 9 F 2 (A = NH 4 , K): new members of A 2 B 6 O 9 F 2 family with deep-UV cutoff edges and moderate birefringence17Hexameric poly-fluoroberyllophosphate Na 4 Be 2 PO 4 F 5 with moderate birefringence and deep-ultraviolet transmission as a potential zero-order-waveplate crystal17K 3 Sr 3 Li 2 Al 4 B 6 O 20 F: a competitive nonlinear optical crystal for generation of a 266 nm laser35Li 7 SrScB 12 O 24 and Li 7 Ba 0.6 Ca 0.4 ScB 12 O 24 : two new quaternary rare-earth borates with short UV cutoff edges4Na 3 B 6 O 10 (HCOO): an ultraviolet nonlinear optical sodium borate-formate33Nain(C2o4)(Hpo4)(H2o)5: An Ultraviolet Transparent Nonlinear Optical Oxalate-Phosphate with Large Birefringence0Theoretical study on the ferroelectric and light absorption properties of Li 2 SbBiO 6 for harvesting visible light5Two porous-layered borates built by B 7 O 13 (OH) clusters and AlO 4 /GaO 4 tetrahedra7Wide bandgaps and strong SHG responses of hetero-oxyfluorides by dual-fluorination-directed bandgap engineering28Two non-centrosymmetric scandium borate nonlinear optical crystals containing the B5O10 anion group26Advances in second-order nonlinear optical sulfates38Ba2B10O16(OH)2·(H3BO3)(H2O): A Possible Deep-Ultraviolet Nonlinear-Optical Barium Borate36CsY(SO4)2·4H2O: A Deep-Ultraviolet Birefringent Crystal Induced by an Edge-Sharing Connection26Finding the First Squarates Nonlinear Optical Crystal NaHC4O4·H2O with Strong Second Harmonic Generation and Giant Birefringence56A dye-loaded nonlinear metal-organic framework as self-calibrated optical thermometer12Alkali metal sulfate: A new non-π-conjugated deep-ultraviolet quasi-phase matching crystal27Deep-ultraviolet nonlinear optical crystals: concept development and materials discovery181Nonlinear Optical Properties of Pyrene Derivatives Based on a Donor–Acceptor Structure and Its Polyurethane Composites19From Phosphate Fluoride to Fluorophosphate: Design of Novel Ultraviolet/Deep-Ultraviolet Nonlinear Optical Materials for BePO3F with Optical Property Enhancement34Vapor-Induced Conversion of a Centrosymmetric Organic–Inorganic Hybrid Crystal into a Proton-Conducting Second-Harmonic-Generation-Active Material8Chemical 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 Generation68Characterizations and Nonlinear-Optical Properties of Pentanary Transition-Metal Oxysulfide Sr2CoGe2OS626Alkaline earth metals (Be, Mg, Ca) doped hexamine complexant with enhanced electronic and nonlinear optical properties7Phosphites: A Nonlinear Optical Materials System with a Wide Band Gap and Moderate Second-Harmonic Generation Effect27Enhanced Second-Harmonic-Generation Response in a KH2PO4-Type Calcium Nitrate Carboxylate with Unusual Three-Dimensional Inorganic and Organic Connections3Rb 3 B 11 P 2 O 23 : Materials Design of a New Chemically Benign Deep-Ultraviolet Nonlinear Optical Material58[M(OH) 2 ] 3 (IO 3 )(SeO 4 )·H 2 O (M = Ga and In): metal iodate–selenate nonlinear optical materials with a hexagonal tungsten oxide-type topology20An overview of Mg-based IR nonlinear optical materials22Anisotropic structure building unit involving diverse chemical bonds: a new opportunity for high-performance second-order NLO materials181Compounds consisting of coplanar π-conjugated B3O6-typed structures: An emerging source of ultraviolet nonlinear optical materials20KNa 2 La 2 (BO 3 ) 3 : a shortite-type lanthanide borate exhibiting strong nonlinear optical activity induced by isolated [BO 3 ] triangles and distorted [LaO 9 ] polyhedra26LiVTeO 5 : a mid-infrared nonlinear optical vanadium tellurate crystal exhibiting enhanced second harmonic generation activities and notable birefringence21Low temperature molten salt synthesis of noncentrosymmetric (NH 4 ) 3 SbF 3 (NO 3 ) 3 and centrosymmetric (NH 4 ) 3 SbF 4 (NO 3 ) 234Solvent-free synthesis of magnesium phosphite-oxalates that show second-harmonic generation responses5Structure and optical property evolution in PbM(PO 4 )X (M = Zn, Sn; X = halogen): SHG effect and birefringence21Two non-centrosymmetric mixed alkali metal and alkaline earth metal scandium borate nonlinear optical materials with short ultraviolet cutoff edges14Growth and Optical Properties of Large-Sized NaVO2(IO3)2(H2O) Crystals for Second-Harmonic Generation Applications12Structure and Characterization of K2Na3B2P3O13, a New Nonlinear Optical Borophosphate with One-Dimensional Chain Structure and Short Ultraviolet Cutoff Edge13Electronic Structures and NLO Properties of a Series of TMDs Lateral‐Core–Shell Heterostructures Quantum Dots3Target‐Driven Design of Deep‐UV Nonlinear Optical Materials via Interpretable Machine Learning125Host–Guest Symmetry Matching in Two Crystalline Magnesium Sulfate Oxalates Obtained Via a Solvent-Free Route8Mixed Rare-Earth Chalcogenide Borate Eu9–xRExMgS2B20O41 (RE = Sm, Gd) Featuring a 3D {[B20O41]22–}∞ Framework Connected by [B6O9(O0.5)6]6– and [B7O13(O0.5)3]8– Clusters7Recent progress of newly developed functional building units and corresponding nonlinear optical materials14

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  2. BaLiZn 3 (BO 3 ) 3 : a new member of the KBe 2 BO 3 F 2 family possessing dense BO 3 triangles and the smallest interlayer distance

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  3. The first investigation of europium silicate melilite for second-order nonlinear optical application: experimental and theoretical studies

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  4. Li3.366Mg0.317B2O5: The first pyroborate in the Li2O-MgO-B2O3 system

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  5. Expanding Frontiers of Ultraviolet Nonlinear Optical Materials with Fluorophosphates

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  6. Fluorooxoborates: Ushering in a New Era of Deep Ultraviolet Nonlinear Optical Materials

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  11. Cs 2 CdV 2 O 6 Cl 2 and Cs 3 CdV 4 O 12 Br: two new non-centrosymmetric oxyhalides containing d 0 and d 10 cations and exhibiting second harmonic generation activity

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  34. Experimental and theoretical studies of the ternary thiophosphate PbPS 3 featuring ethane-like [P 2 S 6 ] 4− units

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  36. Incorporating rare-earth cations with moderate electropositivity into iodates for the optimized second-order nonlinear optical performance

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