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RESEARCH PAPER · Inorganic Chemistry · 2018

CaB5O7F3: A Beryllium-Free Alkaline-Earth Fluorooxoborate Exhibiting Excellent Nonlinear Optical Performances

Zhizhong Zhang, Ying Wang, Bingbing Zhang, Zhihua Yang, Shilie Pan

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CaB5O7F3: A Beryllium-Free Alkaline-Earth Fluorooxoborate Exhibiting Excellent Nonlinear Optical PerformancesOriginalK 11 RbB 28 O 48 : a new triple-layered borate with an unprecedented [B 28 O 57 ] fundamental building block19Li3.366Mg0.317B2O5: The first pyroborate in the Li2O-MgO-B2O3 system1From LiB3O5 to NaRbB6O9F2: Fluorine‐Directed Evolution of Structural Chemistry33A Fluorooxosilicophosphate with an Unprecedented SiO2F4 Species56A Fluorooxosilicophosphate with an Unprecedented SiO2F4 Species5Designing Deep‐UV Birefringent Crystals by Cation Regulation57Fluorooxoborates: Ushering in a New Era of Deep Ultraviolet Nonlinear Optical Materials102Ba2NaClP2O7: Unprecedented Phase Matchability Induced by Symmetry Breaking and Its Unique Fresnoite-Type Structure245BaB8O12F2: a promising deep-UV birefringent material60A new barium fluorooxoborate BaB 5 O 8 F· x H 2 O with large birefringence and a wide UV transparency window25Ba 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 edge19Exploration of the deep-ultraviolet nonlinear optical materials in the derivatives of KBe2BO3F27Mg(H 2 O) 6 B 4 O 5 (OH) 4 (H 2 O) 3 : a new hydrated borate with a short DUV cutoff edge9Pb 10 O 4 (BO 3 ) 3 I 3 : a new noncentrosymmetric oxyborate iodide synthesized by the straightforward hydrothermal method6Sn 2 B 7 O 12 F with a 2∞[B 14 O 24 ] 6− layer constructed from the unprecedented [B 7 O 16 ] 11− fundamental building block18Two new tin( iv )-containing phosphate fluorides with two types of Sn( iv )–P–O–F frameworks and short cutoff edges0Bi2Te2O6(NO3)2(OH)2(H2O): A layered bismuth tellurium nitrate hydroxide with multiple noncentrosymmetric chromophores14Two Non-π-Conjugated Deep-UV Nonlinear Optical Sulfates268Targeting the Next Generation of Deep-Ultraviolet Nonlinear Optical Materials: Expanding from Borates to Borate Fluorides to Fluorooxoborates450Designing Three Fluorooxoborates with a Wide Transmittance Window by Anionic Group Substitution15Investigation of site occupancy and photoluminescence of Ce3+ in cubic borate Ba3Y2(B2O5)3 and Ce3+ → Tb3+ energy transfer behavior16RbB 11 O 16 (OH) 2 : First Hydroxyl Rubidium Borate with the B‐O 2D Layer Featuring Large Birefringence in the Rb‐B‐O‐H System5BaB 2 O 3 F 2 : A Barium Fluorooxoborate with a Unique [B 2 O 3 F] − Layer and Short Cutoff Edge38Prediction of Fluorooxoborates with Colossal Second Harmonic Generation (SHG) Coefficients and Extremely Wide Band Gaps: Towards Modulating Properties by Tuning the BO 3 /BO 3 F Ratio in Layers99Prediction of Fluorooxoborates with Colossal Second Harmonic Generation (SHG) Coefficients and Extremely Wide Band Gaps: Towards Modulating Properties by Tuning the BO3/BO3F Ratio in Layers24Cation Modulation on the Crystal Structure and Band Gap of Fluorooxoborates A3B3O3F6 (A = Alkali and Mixed Alkali Metal)17Pb 3 Ba 3 Zn 6 (BO 3 ) 8 and α-BaZn 2 (BO 3 ) 2 : new members of the zincoborates containing two different dimensional Zn–O units8CsAlB 3 O 6 F: a beryllium-free deep-ultraviolet nonlinear optical material with enhanced thermal stability153Emergent Deep‐Ultraviolet Nonlinear Optical Candidates324Neue Kandidaten für die nichtlineare Optik im Tief‐UV‐Bereich43Na2Mg1−xZnxSiO4 (0 ≤ x ≤ 1): Noncentrosymmetric Sodium Metal Silicate Solid Solutions with Ultraviolet Nonlinear Optical Properties71Al8(BO3)4(B2O5)F8: A F-Containing Aluminum Borate Featuring Two Types of Isolated B–O Groups12Ba 6 BO 3 Cl 9 and Pb 6 BO 4 Cl 7 : structural insights into ortho -borates with uncondensed BO 4 tetrahedra10Ba(B 2 OF 3 (OH) 2 ) 2 with well-ordered OH/F anions and a unique B 2 OF 3 (OH) 2 dimer30Fluorooxoborate layers: second harmonic generation and Raman spectra anisotropy2From BaAl 2 (BO 3 ) 2 O to SnAl 2 (BO 3 ) 2 F 2 : structure transformation based on ion regulation3K 4 (PO 2 F 2 ) 2 (S 2 O 7 ): first fluorooxophosphorsulfate with mixed-anion [S 2 O 7 ] 2− and [PO 2 F 2 ] − groups14RbB 3 O 4 F 2 : a rubidium fluorooxoborate with an unprecedented [B 3 O 5 F 2 ] 3− functionalized unit and a large birefringence37Second-order nonlinear optical materials with a benzene-like conjugated π system49The UV-phosphor strontium fluorooxoborate Sr[B5O7F3]:Eu10A Promising Fluorooxoborate Framework with Flexibile Capability for Diverse Cations to Enhance the Second Harmonic Generation14Noncentrosymmetric Fluorooxoborates A10B13O15F19 (A = K and Rb) with Unexpected [B10O12F13]7– Units and Deep-Ultraviolet Cutoff Edges26PbB5O7F3: A High-Performing Short-Wavelength Nonlinear Optical Material120Alignment of Polar Moieties Leading to Strong Second Harmonic Response in KCsMoP2O951New Alkaline-Earth Metal Fluoroiodates Exhibiting Large Birefringence and Short Ultraviolet Cutoff Edge with Highly Polarizable (IO 3 F) 2– Units63Structure-property survey and computer-assisted screening of mid-infrared nonlinear optical chalcohalides113First-Principles High-Throughput Screening Pipeline for Nonlinear Optical Materials: Application to Borates106Role of Fluorooxo-Functional Units in Symmetry Breaking and Second Harmonic Generation Response Contribution in Fluorooxoborate Nonlinear Optical Crystals15Ba 2 B 7 O 12 F with novel FBB [B 7 O 16 F] and deep-ultraviolet cut-off edge31From silicates to oxonitridosilicates: improving optical anisotropy for phase-matching as ultraviolet nonlinear optical materials47Borates: A Rich Source for Optical Materials1089Sn2B5O9Br as an Outstanding Bifunctional Material with Strong Second‐Harmonic Generation Effect and Large Birefringence84Synergism of multiple functional chromophores significantly enhancing the birefringence in layered non-centrosymmetric chalcohalides20A new acentric borate–nitrate Cs 3 B 8 O 13 (NO 3 ) with interpenetrating porous 3D covalent and ionic lattices8Computationally assisted multistage design and prediction driving the discovery of deep-ultraviolet nonlinear optical materials41Enhanced birefringence and suppressed second harmonic generation response mechanism in nonlinear optical materials via structural fine-tuning9NaKB 6 O 9 F 2 : a new complex alkali metal fluorooxoborate with puckered layers10RbMo 2 P 3 O 14 with large birefringence mainly induced by highly distorted [MoO 6 ] in uncommon [Mo 2 P 3 O 14 ] ∞ layers9Recent advances of oxyfluorides for nonlinear optical applications69Two deep-ultraviolet nonlinear optical monolayers obtained by a template-optimized design strategy2M(NH 2 SO 3 ) 2 (M=Sr, Ba): Two Deep‐Ultraviolet Transparent Sulfamates Exhibiting Strong Second Harmonic Generation Responses and Moderate Birefringence142M(NH 2 SO 3 ) 2 (M=Sr, Ba): Two Deep‐Ultraviolet Transparent Sulfamates Exhibiting Strong Second Harmonic Generation Responses and Moderate Birefringence27Bi2[B2(SeO3)6]: A Metal Boroselenite with a Unique Zero-Dimensional [B2(SeO3)6]6– Anionic Group and Large Birefringence31A Deep‐UV Nonlinear Optical Borosulfate with Incommensurate Modulations71A Deep‐UV Nonlinear Optical Borosulfate with Incommensurate Modulations13Designing a Family of Aluminum-Containing Fluoroborate Crystals with Enhanced Birefringence and Second-Harmonic Generation Coefficients Based on the First-Principles Methods4Discovery of First Magnesium Fluorooxoborate with Stable Fluorine Terminated Framework for Deep‐UV Nonlinear Optical Application167Discovery of First Magnesium Fluorooxoborate with Stable Fluorine Terminated Framework for Deep‐UV Nonlinear Optical Application18Fluorine‐Driven Enhancement of Birefringence in the Fluorooxosulfate: A Deep Evaluation from a Joint Experimental and Computational Study139Na2Rb2SrB18O30 with [B9O19]11− fundamental building block consisting of three [B3O7]5− groups5Exploring Deep-UV Nonlinear Optical Materials with Enhanced Second Harmonic Generation Response and Birefringence in Fluoroaluminoborate Crystals69SrAlB3O6F2: A Fluoroaluminoborate with [Al2B6O14F4] Units and Large Birefringence22The application and development of the first principles calculation in nonlinear optical materials1NaRbB3O4F3: A New Fluorooxoborate with a Short UV Cutoff Edge Enriching the Structural Chemistry of Borate7Non-π-Conjugated Deep-Ultraviolet Nonlinear Optical Crystal K2Zn3(SO4)(HSO4)2F437A General Principle for DUV NLO Materials: π‐Conjugated Confinement Enlarges Band Gap**175A General Principle for DUV NLO Materials: π‐Conjugated Confinement Enlarges Band Gap**27Coordination-Directed Structural Modulation and Design of Deep-Ultraviolet Nonlinear Optical Materials4Ca-cluster-constructed deep-ultraviolet nonlinear-optical crystal Na2Ca17Al2(PO4)14 with strong NLO response11Complex coordinated functional groups: A great genes for nonlinear optical materials64Pushing KTiOPO4-like Nonlinear Optical Sulfates into the Deep-Ultraviolet Spectral Region19K6(IO6H4)(HI2O6)(HIO3)2(IO3)4·2H2O: A Case of Iodate with Coexisting [I5+O3] and [I7+O6] Units6A 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 birefringence17Ba 10 LuB 18 O 32 F 13 : the first example of borate in the Lu–B–O–F system with the unprecedented FBB [B 9 O 22 ]12CsAB 8 O 12 F 2 ·CsI (A = K + , NH 4 + ): design of two fluorooxoborates with benign layered structures via a salt-inclusion strategy28Pb 2 Al 2 B 3 O 8 F 3 : structure and properties of a new fluoroaluminoborate with non-traditional chain-like B 3 O 8 groups4Variable dimensionality of the anion framework in four new borophosphates and fluoroborophosphates with short cutoff edges13Recent progress in the development of KBe2BO3F2: a deep-UV nonlinear optical crystal12Review of Heteroleptic Tetrahedra as Birefringent or Nonlinear Optical Motifs17Pb 4 SeBr 6 : A Congruently Melting Mid‐Infrared Nonlinear Optical Material with Excellent Comprehensive Performance39MM′B3O4F3 (M = K; M′ = Na, K, Cs): Alkali-Metal Fluorooxoborates with ∞1[B3O4F3] Chains and Deep-Ultraviolet Cutoff Edges12Potential optical functional crystals with large birefringence: Recent advances and future prospects322Strong Nonlinearity Induced by Coaxial Alignment of Polar Chain and Dense [BO3] Units in CaZn2(BO3)212Strong Nonlinearity Induced by Coaxial Alignment of Polar Chain and Dense [BO3] Units in CaZn2(BO3)2212Uncovering the Structural Diversity and Excellent Performance of a Deep Ultraviolet Nonlinear Optical System Li(B2O3)nF (n= 1, 1.5, 2, and 3) by Multicomponent Prediction26(NH4)3B11PO19F3: a deep-UV nonlinear optical crystal with unique [B5PO10F]∞ layers142Design of New Borates with Deep Ultraviolet Transparency Inspired by the Flexibility of Unusual Triple-Layered Frameworks3NaBa3[M2B7O16(OH)2]F2 (M = Ge, Si): Two Synthetic F Analogues of Garrelsite with [B7O16(OH)2]13– Polyanions and Deep-Ultraviolet Cutoff Edges8NaB3O4F(OH): A Hydroxyfluorooxoborate with One-Dimensional Chain Featuring Large Birefringence and Short Ultraviolet Cutoff Edge5Design of novel deep-UV nonlinear optical materials with one-dimensional functional module [BO2]∞ chain and fluorine-driven short phase-matching43Decentering the Symmetry via Docking B and F in the KBe2BO3F2-Family Structure0CaBO2F: A novel deep-UV structural template with high nonlinear optical performance induced by electron delocalization25Exploring Short-Wavelength Phase-Matching Nonlinear Optical Crystals by Employing KBe2BO3F2 as the Template95Phonon structure engineering for intrinsically spectrally selective emitters by anion groups0LiNaB6O9F2: A Promising UV NLO Crystal Having Fluorine‐Directed Optimal Performances and Double Interpenetrating 3[B6O9F2]∞ Networks33Rb 3 B 5 O 8 F 2 and K 0.6 Rb 2.4 B 5 O 8 F 2 : two new deep-ultraviolet transparent nonlinear optical fluorooxoborates designed by cation regulation13Aluminoborates as Nonlinear Optical Materials79Aluminoborates as Nonlinear Optical Materials14Design of deep-ultraviolet nonlinear optical materials based on fundamental building blocks with excellent microscopic properties1Constructing ultraviolet nonlinear optical crystals with large second harmonic generation and short absorption edges by using polar tetrahedral S 2 O 3 groups14Evaluating refractive index and birefringence of nonlinear optical crystals: Classical methods and new developments45K 5 [B 3 O 3 F 4 (OH)] 2 (NO 3 ): the first hydroxyfluorooxoborate-nitrate with a short ultraviolet cutoff edge and large birefringence18Recent progress in borate-based short-wavelength nonlinear optical crystals with boron–oxygen skeleton modification28Rational 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 System15Fluorooxoborates: A precious treasure of deep-ultraviolet nonlinear optical materials24Recent advances in non-π-conjugated nonlinear optical sulfates with deep-UV absorption edge53Structural Motif Cosubstitution Strategy for Designing Fluoroaluminoborate with the Sr2Be2B2O7-Type Double-Layered Structure14CaB2O2F4: A Novel [BOF2]∞-Based Structural Template with a Strong Second Harmonic Generation Response and Large Band Gap2Three Polyborates with High-Symmetry [B12O24] Units Featuring Different Dimensions of Anion Groups8Na2Mg2P2O7F2: A new diphosphate of the cuspidine family without disorder designed by targeted structural modulation1Na4[B6O9 (OH)3](H2O) Cl: A Deep-Ultraviolet Transparent Nonlinear Optical Borate Chloride with {[B6O9 (OH)3]3–}∞ Chains5From Monofluorophosphates A2PO3F to Difluorophosphates APO2F2 (A = alkali metal): Design of a Potential Deep-Ultraviolet Nonlinear Optical Materials System with a Shortened Phase-Matching Wavelength41Fluorooxoborate Promoting the Exploration of Short-Wavelength Linear and Nonlinear Optical Crystals with Expected Properties and Versatile Structures27The Strategy to Improve the Phase Matching Ability in Tetrahedron‐Based Deep‐Ultraviolet Nonlinear Optical Crystals21Nonlinear optical inorganic sulfates: The improvement of the phase matching ability driven by the structural modulation41Rare-Earth Scandium Borate Fluoride with a Deep-Ultraviolet Cutoff Edge12Optimal decision-making in high-throughput virtual screening pipelines11Ba 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 Strategy12Rb 3 MgB 5 O 10 and LiBaAl(BO 3 ) 2 : covalent tetrahedra MO 4 -containing borates with deep-ultraviolet cutoff edges9Advances in Solid-State Nonlinear Optical Materials: From Fundamentals to Applications61Fluorination strategy toward chemical and functional modification65(C(NH2)3)2(I2O5F)(IO3)(H2O) and C(NH2)3IO2F2: Two Guanidine Fluorooxoiodates with Wide Band Gap and Large Birefringence20Ca 3 Al 2 B 8 O 18 : borate with a graphene-like layer featuring two types of topological six-membered rings induced by [AlO 4 ] units7From BaAlBO 3 F 2 to BaAlB 3 O 6 F 2 and BaAl 2 (B 3 O 6 ) 2 F 2 : the enhancement of birefringence and band gap by extending the π-conjugated system combined with [Al–O/F] functional groups13NaB(OH) 3 CH 3 : a deep-ultraviolet optical crystal with unprecedented methyl-modified [B(OH) 3 CH 3 ] units6Recent advances in rational structure design for nonlinear optical crystals: leveraging advantageous templates153Syntheses, structures and properties of two new members of the pentaborate family: NaKB 5 O 8 (OH)·H 2 O and KB 5 O 8 ·2H 2 O3Toward the ultraviolet (UV) or deep-UV nonlinear optical crystals: The combination of π-conjugated planar [XY3] and tetrahedral [XY4]80[C(NH2)3][B(C2O2H4)2]: An Organic–Inorganic Hybrid Borate Containing Nonlinear-Optical Active Unit [B(C2O2H4)2]− with Solar-Blind-Region Optical Nonlinearity16Pioneering Exploration in the Na–Lu–B–O System: Na3LuB8O15 with Polyborate Structure and Short UV Cutoff Edge1Extending Unique 1D Double-Chains to 2D Layers with Birefringent Gain by Introducing a Hydroxyl Group5A perspective on deep-ultraviolet nonlinear optical materials13Enhancement of Birefringence in π-Conjugated Oxyfluorides Achieved via van der Waals Layered Structural Optimization10NaRbB10O14(OH)4 and Na3CsB10O16(OH)2: Two Cases of Hydroxyborates with [B5Om(OH)n] Units and Deep Ultraviolet Cutoff Edges6Review on birefringence in borates based on birefringence-active functional groups and arrangements57Fluorine-driven materials design of novel deep-ultraviolet nonlinear optical crystal materials: Research progress and challenges6NH4Y(SO4)2·H2O and NH4YSO4F2: Two New Ammonium‐Rare Earth Metal Sulfates with Enhanced Optical Anisotropy and Deep Ultraviolet Transmission3Rb 1.87 Cs 1.13 B 8 O 13 (NO 3 ): a new acentric borate-nitrate with two types of three-dimensional interpenetrating lattices1The New Paradigm of Ligand Substitution-Driven Enhancement of Anisotropy from SO4 Units in Short-Wavelength Region14

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  1. K 11 RbB 28 O 48 : a new triple-layered borate with an unprecedented [B 28 O 57 ] fundamental building block

    Dalton Transactions · 2018-01-01

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

    Inorganic Chemistry Communications · 2018-05-17

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  3. From LiB3O5 to NaRbB6O9F2: Fluorine‐Directed Evolution of Structural Chemistry

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  4. A Fluorooxosilicophosphate with an Unprecedented SiO2F4 Species

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  5. A Fluorooxosilicophosphate with an Unprecedented SiO2F4 Species

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  6. Designing Deep‐UV Birefringent Crystals by Cation Regulation

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

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  8. Ba2NaClP2O7: Unprecedented Phase Matchability Induced by Symmetry Breaking and Its Unique Fresnoite-Type Structure

    Journal of the American Chemical Society · 2018-10-12

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  9. BaB8O12F2: a promising deep-UV birefringent material

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  10. A new barium fluorooxoborate BaB 5 O 8 F· x H 2 O with large birefringence and a wide UV transparency window

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  11. Ba 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 arrangement

    Chemical Communications · 2019-01-01

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  12. Ba 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 edge

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  13. Exploration of the deep-ultraviolet nonlinear optical materials in the derivatives of KBe2BO3F2

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  14. Mg(H 2 O) 6 B 4 O 5 (OH) 4 (H 2 O) 3 : a new hydrated borate with a short DUV cutoff edge

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  15. Pb 10 O 4 (BO 3 ) 3 I 3 : a new noncentrosymmetric oxyborate iodide synthesized by the straightforward hydrothermal method

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  16. Sn 2 B 7 O 12 F with a 2∞[B 14 O 24 ] 6− layer constructed from the unprecedented [B 7 O 16 ] 11− fundamental building block

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  17. Two new tin( iv )-containing phosphate fluorides with two types of Sn( iv )–P–O–F frameworks and short cutoff edges

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  18. Bi2Te2O6(NO3)2(OH)2(H2O): A layered bismuth tellurium nitrate hydroxide with multiple noncentrosymmetric chromophores

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  19. Two Non-π-Conjugated Deep-UV Nonlinear Optical Sulfates

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  20. Targeting the Next Generation of Deep-Ultraviolet Nonlinear Optical Materials: Expanding from Borates to Borate Fluorides to Fluorooxoborates

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  21. Designing Three Fluorooxoborates with a Wide Transmittance Window by Anionic Group Substitution

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  22. Investigation of site occupancy and photoluminescence of Ce3+ in cubic borate Ba3Y2(B2O5)3 and Ce3+ → Tb3+ energy transfer behavior

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  23. RbB 11 O 16 (OH) 2 : First Hydroxyl Rubidium Borate with the B‐O 2D Layer Featuring Large Birefringence in the Rb‐B‐O‐H System

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  24. BaB 2 O 3 F 2 : A Barium Fluorooxoborate with a Unique [B 2 O 3 F] − Layer and Short Cutoff Edge

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  25. Prediction of Fluorooxoborates with Colossal Second Harmonic Generation (SHG) Coefficients and Extremely Wide Band Gaps: Towards Modulating Properties by Tuning the BO 3 /BO 3 F Ratio in Layers

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  26. Prediction of Fluorooxoborates with Colossal Second Harmonic Generation (SHG) Coefficients and Extremely Wide Band Gaps: Towards Modulating Properties by Tuning the BO3/BO3F Ratio in Layers

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  27. Cation Modulation on the Crystal Structure and Band Gap of Fluorooxoborates A3B3O3F6 (A = Alkali and Mixed Alkali Metal)

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  28. Pb 3 Ba 3 Zn 6 (BO 3 ) 8 and α-BaZn 2 (BO 3 ) 2 : new members of the zincoborates containing two different dimensional Zn–O units

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  29. CsAlB 3 O 6 F: a beryllium-free deep-ultraviolet nonlinear optical material with enhanced thermal stability

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  30. Emergent Deep‐Ultraviolet Nonlinear Optical Candidates

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  31. Neue Kandidaten für die nichtlineare Optik im Tief‐UV‐Bereich

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  32. Na2Mg1−xZnxSiO4 (0 ≤ x ≤ 1): Noncentrosymmetric Sodium Metal Silicate Solid Solutions with Ultraviolet Nonlinear Optical Properties

    Bulletin of the Korean Chemical Society · 2019-12-15

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  33. Al8(BO3)4(B2O5)F8: A F-Containing Aluminum Borate Featuring Two Types of Isolated B–O Groups

    Inorganic Chemistry · 2019-12-26

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  34. Ba 6 BO 3 Cl 9 and Pb 6 BO 4 Cl 7 : structural insights into ortho -borates with uncondensed BO 4 tetrahedra

    Chemical Communications · 2020-01-01

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  35. Ba(B 2 OF 3 (OH) 2 ) 2 with well-ordered OH/F anions and a unique B 2 OF 3 (OH) 2 dimer

    Chemical Communications · 2020-01-01

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  36. Fluorooxoborate layers: second harmonic generation and Raman spectra anisotropy

    New Journal of Chemistry · 2020-01-01

    Abudukadi Tudi, Shujuan Han, Zhihua Yang, Shilie Pan

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  37. From BaAl 2 (BO 3 ) 2 O to SnAl 2 (BO 3 ) 2 F 2 : structure transformation based on ion regulation

    New Journal of Chemistry · 2020-01-01

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  38. K 4 (PO 2 F 2 ) 2 (S 2 O 7 ): first fluorooxophosphorsulfate with mixed-anion [S 2 O 7 ] 2− and [PO 2 F 2 ] − groups

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  39. RbB 3 O 4 F 2 : a rubidium fluorooxoborate with an unprecedented [B 3 O 5 F 2 ] 3− functionalized unit and a large birefringence

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  40. Second-order nonlinear optical materials with a benzene-like conjugated π system

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  41. The UV-phosphor strontium fluorooxoborate Sr[B5O7F3]:Eu

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  42. A Promising Fluorooxoborate Framework with Flexibile Capability for Diverse Cations to Enhance the Second Harmonic Generation

    Chemistry - A European Journal · 2020-01-16

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  43. Noncentrosymmetric Fluorooxoborates A10B13O15F19 (A = K and Rb) with Unexpected [B10O12F13]7– Units and Deep-Ultraviolet Cutoff Edges

    Inorganic Chemistry · 2020-02-10

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  44. PbB5O7F3: A High-Performing Short-Wavelength Nonlinear Optical Material

    Chemistry of Materials · 2020-02-11

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  45. Alignment of Polar Moieties Leading to Strong Second Harmonic Response in KCsMoP2O9

    Chemistry of Materials · 2020-03-13

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  46. New Alkaline-Earth Metal Fluoroiodates Exhibiting Large Birefringence and Short Ultraviolet Cutoff Edge with Highly Polarizable (IO 3 F) 2– Units

    Chemistry of Materials · 2020-06-10

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  47. Structure-property survey and computer-assisted screening of mid-infrared nonlinear optical chalcohalides

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  48. First-Principles High-Throughput Screening Pipeline for Nonlinear Optical Materials: Application to Borates

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  49. Role of Fluorooxo-Functional Units in Symmetry Breaking and Second Harmonic Generation Response Contribution in Fluorooxoborate Nonlinear Optical Crystals

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  50. Ba 2 B 7 O 12 F with novel FBB [B 7 O 16 F] and deep-ultraviolet cut-off edge

    Inorganic Chemistry Frontiers · 2020-10-30

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