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RESEARCH PAPER · Inorganic Chemistry · 2013

Cs2GeB4O9: a New Second-Order Nonlinear-Optical Crystal

Xiang Xu, Chun‐Li Hu, Fang Kong, Jian‐Han Zhang, Jiang‐Gao Mao, Junliang Sun

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Cs2GeB4O9: a New Second-Order Nonlinear-Optical CrystalOriginalChemInform Abstract: Cs2GeB4O9: A New Second‐Order Nonlinear‐Optical Crystal.0Sr 4 B 10 O 18 (OH) 2 ·2H 2 O: a new UV nonlinear optical material with a [B 10 O 23 ] 16− building block53SrGe2B2O8 and Sr3Ge2B6O16: Novel Strontium Borogermanates with Three-Dimensional and Layered Anionic Architectures50Doping the Alkali Atom: An Effective Strategy to Improve the Electronic and Nonlinear Optical Properties of the Inorganic Al12N12 Nanocage155Ba4(BO3)3(SiO4)·Ba3X (X = Cl, Br): new salt-inclusion borosilicate halides as potential deep UV nonlinear optical materials58Sodium–rare earth carbonates with shorite structure and large second harmonic generation response44A New Cesium Pentaborate with New B10O19 Building Blocks13KSbB2O6 and BaSb2B4O12: Novel Boroantimonates with 3D Anionic Architectures Composed of 1D Chains of SbO6 Octahedra and B2O5 Groups36Series of Lead Oxide Hydroxide Nitrates Obtained by Adjusting the pH Values of the Reaction Systems32PbCd 2 B 6 O 12 and EuZnB 5 O 10 : syntheses, crystal structures and characterizations of two new mixed metal borates43Na4La2(CO3)5 and CsNa5Ca5(CO3)8: Two New Carbonates as UV Nonlinear Optical Materials65Syntheses, characterization and nonlinear optical properties of sodium–scandium carbonate Na 5 Sc(CO 3 ) 4 ·2H 2 O9Zn 4 B 3 O 9 C 2 H 8 N 2 : an organic–inorganic hybrid borate with a novel graphene-like layer8Lanthanum Lead Oxide Hydroxide Nitrates with a Nonlinear Optical Effect30Synthesis and structural characterization of a new rubidium borosulfate, Rb5BS4O1616ACdCO 3 F (A = K and Rb): new noncentrosymmetric materials with remarkably strong second-harmonic generation (SHG) responses enhanced via π-interaction61Ba 7 (BO 3 ) 3 GeO 4 X (X = Cl, Br): borogermanate halides with rigid GeO 4 tetrahedra and flexible XBa 6 octahedra11Na 3 B 4 O 7 X (X = Cl, Br): two new borate halides with a 1D Na-X (X = Cl, Br) chain formed by the face-sharing XNa 6 octahedra13Recent advances on second-order NLO materials based on metal iodates328Theoretical insights and design of intriguing nonlinear optical species involving the excess electron51Modulation of Framework and Centricity: Cation Size Effect in New Quaternary Selenites, ASc(SeO3)2 (A = Na, K, Rb, and Cs)41Laser operated optical features in β-BaTeMo2O9:Cr3+ nanocrystallites1Structure-Directing Effect of Alkali Metal Cations in New Molybdenum Selenites, Na2Mo2O5(SeO3)2, K2Mo2O5(SeO3)2, and Rb2Mo3O7(SeO3)315A Series of Aluminoborates Templated or Supported by Zinc–Amine Complexes51Effect of the tetrahedral groups on the optical properties of LaBRO5 (R = Si and Ge): A first-principles study11K2Pb3(CO3)3F2 and KCdCO3F: Novel Fluoride Carbonates with Layered and 3D Framework Structures42New niobium selenites, ANbO(SeO3)2 (A = Na, K, Rb, and Cs): Effect of alkali metal cation size on the dimensionality and intraoctahedral distortion10Synthesis and characterization of CsSrCO 3 F – a beryllium-free new deep-ultraviolet nonlinear optical material34A 2 SbB 3 O 8 (A = Na, K, Rb) and β-RbSbB 2 O 6 : two types of alkali boroantimonates with 3D anionic architectures composed of SbO 6 octahedra and borate groups25Active performance of tetrahedral groups to SHG response: theoretical interpretations of Ge/Si-containing borate crystals3Structure modulations in nonlinear optical (NLO) materials Cs2TB4O9(T= Ge, Si)14Polar Noncentrosymmetric ZnMoSb2O7 and Nonpolar Centrosymmetric CdMoSb4O10: d10 Transition Metal Size Effect Influencing the Stoichiometry and the Centricity38Structural and physical systematization of the nonlinear-optical borate crystals1Second hyperpolarizability of the calcium-doped lithium salt of pyridazine Li–H3C4N2 ⋯ Ca33DFT Based Theoretical Study about the Contributions of Fluorine to Nonlinear Optical Properties in Borate Fluoride Crystals27Pb2BO3Cl: 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 Generation129Synthesis and structural characterization of BaSr2Ge3O94Cd3(MoO4)(TeO3)2: A Polar 3D Compound Containing d10–d0 SCALP-Effect Cations85Synthesis, Crystal Structure, and Nonlinear Optical Properties of a New Alkali and Alkaline Earth Metal Carbonate RbNa5Ca5(CO3)810Introducing the triangular BN nanodot or its cooperation with the edge-modification via the electron-donating/withdrawing group to achieve the large first hyperpolarizability in a carbon nanotube system13Li 6 Zn 3 (BO 3 ) 4 : a new zincoborate featuring vertex-, edge- and face-sharing LiO 4 tetrahedra and exhibiting reversible phase transitions18CsBxGe6–xO12 (x = 1): A Zeolite Sodalite-Type Borogermanate with a High Ge/B Ratio by Partial Boron Substitution21A theoretical investigation on doping superalkali for triggering considerable nonlinear optical properties of Si12C12 nanostructure65Phosphides or nitrides for better NLO properties? A detailed comparative study of alkali metal doped nano-cages108Synthesis and characterization of a new beryllium-free deep-ultraviolet nonlinear optical material: Na2GdCO3F331Bonding the superalkali M3O (M = Li and K): An effective strategy to improve the electronic and nonlinear optical properties of the inorganic B40 nanocage19A new mixed alkali metal borate: LiCs[B5O8(OH)]·H2O11Centrosymmetric (Hdima)2[Ge5B3O15(OH)] and Noncentrosymmetric Na4Ga3B4O12(OH): Solvothermal/Surfactant-Thermal Synthesis of Open-Framework Borogermanate and Galloborate34Design of zinc porphyrin‐perylene diimide donor‐bridge‐acceptor chromophores for large second‐order nonlinear optical response: A theoretical exploration14K2[B3O3(OH)5]: A new deep-UV nonlinear optical crystal with isolated [B3O3(OH)5]2- anionic groups31Insights of BO 3 –PO 4 replacement for the design and synthesis of a new borate–phosphate with unique 1∞[Zn 4 BO 11 ] chains and two new phosphates16MBaYB 6 O 12 (M = Rb, Cs): two new rare-earth borates with large birefringence and short ultraviolet cutoff edges42RE (SO 4 )[B(OH) 4 ](H 2 O), RE (SO 4 )[B(OH) 4 ](H 2 O) 2 , and RE (SO 4 )[B(OH) 4 ](H 2 O)·H 2 O: Rare-Earth Borate-Sulfates Featuring Three Types of Layered Structures19Calculating Thermodynamic Properties of Alkali Borogermanates and Germanosilicates2NH 4 B 11 O 16 (OH) 2 : a new ammonium borate with wavy-shaped polycyclic 2∞[B 11 O 16 (OH) 2 ] layers27Transition metal doping: a new and effective approach for remarkably high nonlinear optical response in aluminum nitride nanocages86A Series of Mixed-Metal Germanium Iodates as Second-Order Nonlinear Optical Materials71Ba 4 Bi 2 (Si 8−x B 4+x O 29 ) ( x = 0.09): a new acentric metal borosilicate as a promising nonlinear optical material53Two Lanthanide Borate Chlorides LnB4O6(OH)2Cl (Ln = La, Ce) with Wide Ultraviolet Transmission Windows and Large Second-Harmonic Generation Responses25Noncentrosymmetric cubic RbBSi2O6 polymorph with deep ultraviolet cut-off edge4Ca 2 GeB 2 O 7 and Ca 1.78 Cd 0.22 GeB 2 O 7 : two acentric borogermanates with a melilite-like structure and short ultraviolet cutoff edge14Fluoroborophosphates: a family of potential deep ultraviolet NLO materials43K 2 [B 4 O 5 (OH) 4 ]·H 2 O and K 2 [B 4 O 5 (OH) 4 ]: two new hydrated potassium borates with isolated [B 4 O 5 (OH) 4 ] 2− units and different structural frameworks8Theoretical study on a boron phosphide nanocage doped with superalkalis: novel electrides having significant nonlinear optical response87Three new phosphates, Cs8Pb4(P2O7)4, CsLi7(P2O7)2 and LiCa(PO3)3: structural comparison, characterization and theoretical calculation23K 6 ACaSc 2 (B 5 O 10 ) 3 (A = Li, Na, Li 0.7 Na 0.3 ): Nonlinear-Optical Materials with Short UV Cutoff Edges37Ba4M(CO3)2(BO3)2 (M=Ba, Sr): two borate-carbonates synthesized by open high temperature solution method29Zeolitic Open-Framework Borates with Noncentrosymmetric Structures and Nonlinear Optical Properties24Spiral Graphene Nanoribbons with Azulene Defects as Potential Nonlinear Optical Materials43Two Deep Ultraviolet Hydrated Borate Crystals: Centrosymmetric LiRbB5O8(OH)·H2O and Non-Centrosymmetric K2B5O8(OH)·2H2O8A theoretical study of alkaline-earthides Li(NH3)4M (M = Be, Mg, Ca) with large first hyperpolarizability31Transformation of the B–O Units from Corner-Sharing to Edge-Sharing Linkages in BaMBO4 (M = Ga, Al)33Electro-optical properties of bowl-like B36 cluster doped with the first row transition metals: A DFT insight31Cs2Bi2O(Ge2O7) (CBGO): A Larger SHG Effect Induced by Synergistic Polarizations of BiO5 Polyhedra and GeO4 Tetrahedra73Cs2Bi2O(Ge2O7) (CBGO): A Larger SHG Effect Induced by Synergistic Polarizations of BiO5 Polyhedra and GeO4 Tetrahedra18Design of novel superalkali doped silicon carbide nanocages with giant nonlinear optical response100Sr 5 TeO 2 (BO 3 ) 4 and NaSr 5 (BO 3 )(SiO 4 ) 2 : two inorganic metal borate derivatives with diverse zero dimensional anions21Alkaline earth metal decorated phosphide nanoclusters for potential applications as high performance NLO materials; A first principle study53Ba 6 BO 3 Cl 9 and Pb 6 BO 4 Cl 7 : structural insights into ortho -borates with uncondensed BO 4 tetrahedra10CsBP 2 O 6 (OH) 2 : a second-order NLO material with a unique borophosphate anionic partial structure and strong SHG effect10From BaAl 2 (BO 3 ) 2 O to SnAl 2 (BO 3 ) 2 F 2 : structure transformation based on ion regulation3Rb 3 BaTeB 7 O 15 : a novel [B 7 O 16 ] fundamental building block in a new telluroborate with [TeO 3 ] polyhedra11Synthesis, characterization and crystal structure of a new mixed alkali and alkaline-earth metal borate Rb 9 Ba 24 (BO 3 ) 196Density Functional Theory Investigation of Nonlinear Optical Properties of T-Graphene Quantum Dots112First row transition metals decorated boron phosphide nanoclusters as nonlinear optical materials with high thermodynamic stability and enhanced electronic properties; A detailed quantum chemical study44Evaluation of thermodynamic properties of alkaline borogermanates and germanosilicates using the regression analysis method1Borates: A Rich Source for Optical Materials1089Sn3B8O15: A Ternary Tin(II) Borate with Flexible [B8O18]12– Fundamental Building Block Formed by [B7O16]11– and [BO3]3– Groups10M(B(SeO 3 ) 3 )H 2 O (M = Al, Ga): the first boroselenites with a unique sandwich like double-layer structure9Ultraviolet nonlinear optical crystals A 3 SrBi(P 2 O 7 ) 2 (A = K, Rb) with large second harmonic generation responses15BO3 Triangle and B@Zn2O3 Cationic Layer in the Structure of the Hybrid Zinc Acetate Borate [ZnAc]·[ZnBO3]9Oxacarbon superalkali C3X3Y3 (X = O, S and Y = Li, Na, K) clusters as excess electron compounds for remarkable static and dynamic NLO response25BaYOBO3: A deep-ultraviolet rare-earth oxy-borate with a large second harmonic generation response45The First Mixed Calcium Zinc Borate with a Flexible [B8O17] Fundamental Building Block and Short UV Cutoff Edge7Efficient degradation of reactive brilliant red on the first open-framework borate-rich cadmium borophosphate8Quantum design of transition metals decorated on boron phosphide inorganic nanocluster for Favipiravir adsorption: a possible treatment for COVID-1916Investigations on the Synthesis, Crystal Structure, Linear- and Nonlinear-Optical Properties of the Zinc Germanate Rb2ZnGe2O627Cd 4 REO(BO 3 ) 3 (RE = Sm, Eu, Tb): three new cadmium–rare earth oxyborates with both good NLO and luminescence properties6Inducing large birefringence by enhancing asymmetric electron distribution of Y–O polyhedra21Na 3 B 6 O 10 (HCOO): an ultraviolet nonlinear optical sodium borate-formate33Two layered galloborates from centric to acentric structures: syntheses and NLO properties27Optimized nonlinear optical (NLO) response of silicon carbide nanosheet by alkali metals doping: a DFT insight40Enhancement of NLO properties of supersalt (Al(BH4)3)-doped graphene: a DFT study13Computational study of 2N-atom functionalized corannulene by alkali metals doping: Towards the development of highly efficient nonlinear optical materials20Doping of superalkali and superhalogen on graphene quantum dot surfaces to enhance nonlinear optical response: An efficient strategy for fabricating novel electro-optical materials36Theoretical Study of Alkaline-Earth Metal (Be, Mg, and Ca)-Substituted Aluminum Nitride Nanocages With High Stability and Large Nonlinear Optical Responses2The electronic structures and nonlinear optical properties of Alkali and Alkali earth metal atoms doped C6H6Cl6: A density functional theoretical study0NaBa3[M2B7O16(OH)2]F2 (M = Ge, Si): Two Synthetic F Analogues of Garrelsite with [B7O16(OH)2]13– Polyanions and Deep-Ultraviolet Cutoff Edges8Shedding Light on the Structure and Characterization of K2ZnGe2O6: A Phase-Matchable Nonlinear Optical Crystal19Deep Ultraviolet-Transparent Materials with Strong Second-Harmonic Response50The Alkaline-earthides based parallel-stacked dimer and trimer of Janus face C6H6F6 showing extremely large nonlinear optical responses13The structure of glasses M2O-B2O3 (М – Li, Na, K): Estimation of thermodynamic characteristics of alkali borates and physicochemical modeling19Geometric, Electronic, and Optoelectronic Properties of Carbon-Based Polynuclear C3O[C(CN)2]2M3 (where M = Li, Na, and K) Clusters: A DFT Study7Two Ultraviolet Optical Crystals K6B12O19F4 and K12B28O48: The Effects of Metal Cations Size and the F Ions on the Structure6Target-Oriented Synthesis of Borate Derivatives Featuring Isolated [B3O3] Six-Membered Rings as Structural Features20Surface Functionalization of Sulflower with Superhalogens Doping to Achieve Robustly Large Nonlinear Optical Response: Interactive Design Computation of New NLO Materials for Modern Electro-Optic Applications21Exohedrally and endohedrally doped 15-crown-5 (a crown ether) surface by metals for potential applications as high-performance NLO materials6Computational study of Be, Mg and Ca decorated Si12B12 nanocages with proficient nonlinear optical properties0A Rational Design of Alkali Metal-Doped Germanium Carbide Nanoclusters for High Nonlinear Optical Response and Ultraviolet Transparency6Ba 4 B 14 O 25 : A Deep Ultraviolet Transparent Nonlinear Optical Crystal with Strong Second Harmonic Generation Response Achieved by a Boron‐Rich Closed‐Loop Strategy12A nonlinear optical crystal with deep-ultraviolet transparency and appropriate birefringence achieved using π-conjugated confined [B 3 O 3 F 4 (OH)] 2−14Modeling and Simulation of Graphene Quantum Dots0Benzo‐bisimidazole based nanosheets having porphyrin like internal core with high second order nonlinear optical response: A theoretical perspective1Li2B5O8Cl: A New Borate Chloride with Interpenetrating 3D B–O Frameworks Enriching Structural Chemistry of Borate0NaRbB10O14(OH)4 and Na3CsB10O16(OH)2: Two Cases of Hydroxyborates with [B5Om(OH)n] Units and Deep Ultraviolet Cutoff Edges6Theoretical design of alkaline earthides M+(36 adz) Be− (M+ = V, Cr, Mn, Fe, Co, Ni, Cu, and Zn) with excellent nonlinear optical response and ultraviolet transparency10Non-linear optical properties of hybrid materials of (OLi3) superalkali doped perylene diimide (PDI) derivative: comprehensively study via silico-technique5Learning From Nature: The Rational Non‐Centrosymmetric Structural Design in the Honeycomb‐Like Gaudefroyite Family23Non-linear optical properties of oxisulflower through density functional theory study0Development of highly efficient nonlinear optical materials based on alkali and superalkali metals-doped Li12F12 nanocages for advanced electro-optic applications4Design and Synthesis of a Deep-Ultraviolet Nonlinear Optical Crystal KRb3B6Ge3O17 Composed of [B3O8] Units and [GeO4] Tetrahedra6First‐Principles Insights into Superalkalis/Superhalogens‐Doped Be 10 O 10 Nanoring for Enhanced Harmonic Generation and Nonlinear Optical Response1Studies on Three 3D Bimetallic Tellurates: Including a Second-Order NLO Material with d10-Zn2+ and SOJT-Effect Te4+/Mo6+ Cations2Promising UV/DUV nonlinear optical materials with X-membered (X = multiples of 6) rings in anhydrous inorganic borates20Borosilicates as deep-ultraviolet transparent nonlinear optical crystals: Structural motifs, performance limits and future directions9[Sr(H 2 O)]{Sr[B(OH) 3 ]}[B 5 O 8 (OH)] 2 : A Deep-Ultraviolet Second-Order Nonlinear Optical Strontium Borate Constructed by Mixing π-Conjugated and Non-π-Conjugated Units1K 3 YGe 3 O 9 : A Rare-Earth Germanate Nonlinear Optical Crystal with a Short Ultraviolet Cutoff Edge and Moderate Second-Harmonic Generation Response1Alkali metal-induced modifications in the electronic and NLO properties of triselenasumanene complexes through DFT study2

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  2. Sr 4 B 10 O 18 (OH) 2 ·2H 2 O: a new UV nonlinear optical material with a [B 10 O 23 ] 16− building block

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  3. SrGe2B2O8 and Sr3Ge2B6O16: Novel Strontium Borogermanates with Three-Dimensional and Layered Anionic Architectures

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  4. Doping the Alkali Atom: An Effective Strategy to Improve the Electronic and Nonlinear Optical Properties of the Inorganic Al12N12 Nanocage

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  5. Ba4(BO3)3(SiO4)·Ba3X (X = Cl, Br): new salt-inclusion borosilicate halides as potential deep UV nonlinear optical materials

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  33. Structural and physical systematization of the nonlinear-optical borate crystals

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  34. Second hyperpolarizability of the calcium-doped lithium salt of pyridazine Li–H3C4N2 ⋯ Ca

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  35. DFT Based Theoretical Study about the Contributions of Fluorine to Nonlinear Optical Properties in Borate Fluoride Crystals

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  36. Pb2BO3Cl: A Tailor‐Made Polar Lead Borate Chloride with Very Strong Second Harmonic Generation

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  37. Pb2BO3Cl: A Tailor‐Made Polar Lead Borate Chloride with Very Strong Second Harmonic Generation

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  38. Synthesis and structural characterization of BaSr2Ge3O9

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