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RESEARCH PAPER · Dalton Transactions · 2016

BaCdSnS 4 and Ba 3 CdSn 2 S 8 : syntheses, structures, and non-linear optical and photoluminescence properties

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BaCdSnS 4 and Ba 3 CdSn 2 S 8 : syntheses, structures, and non-linear optical and photoluminescence propertiesOriginalRecent achievements on middle and far-infrared second-order nonlinear optical materials433Ba 6 Li 2 CdSn 4 S 16 : lithium substitution simultaneously enhances band gap and SHG intensity44BaCu 2 M IV Q 4 (M IV = Si, Ge, and Sn; Q = S, Se): synthesis, crystal structures, optical performances and theoretical calculations54Band gap tuning from an indirect EuGa 2 S 4 to a direct EuZnGeS 4 semiconductor: syntheses, crystal and electronic structures, and optical properties20Noncentrosymmetric chalcogenides BaZnSiSe4 and BaZnGeSe4 featuring one-dimensional structures55Spectroscopic, DFT and Z-scan supported investigation of dicyanoisophorone based push-pull NLOphoric styryl dyes44Mid-Infrared Nonlinear Optical Materials Based on Metal Chalcogenides: Structure–Property Relationship338Ba 6 Zn 7 Ga 2 S 16 : A Wide Band Gap Sulfide with Phase-Matchable Infrared NLO Properties110An Intermediate Band Material K 2 CdSnSe 4 and Its Visible‐Light Photocatalytic Activity2Synthesis and characterization of two lead-containing metal chalcogenides: Ba5Pb2Sn3S13 and Ba6PbSn3Se137Four new quaternary chalcogenides A 2 Ba 7 Sn 4 Q 16 (A = Li, Na; Q = S, Se): syntheses, crystal structures determination, nonlinear optical performances investigation26Effect of Element Substitution on Structural Transformation and Optical Performances in I2BaMIVQ4 (I = Li, Na, Cu, and Ag; MIV = Si, Ge, and Sn; Q = S and Se)63Spectroscopic and DFT approach for structure property relationship of red emitting rhodamine analogues: A study of linear and nonlinear optical properties16BaM2As2S6 (M = Cd, Hg): Synthesis, crystal structure, optical and electronic properties16Ternary Mixed-Metal Cd4GeS6: Remarkable Nonlinear-Optical Properties Based on a Tetrahedral-Stacking Framework41Modifying Disordered Sites with Rational Cations to Regulate Band-Gaps and Second Harmonic Generation Responses Markedly: Ba6Li2ZnSn4S16 vs Ba6Ag2ZnSn4S16 vs Ba6Li2.67Sn4.33S1625Ba10Zn7M6Q26: Two New Mid-infrared Nonlinear Optical Crystals with T2 Supertetrahedron 3D Framework11Adjustable optical nonlinearity in d 10 cations containing chalcogenides via dp hybridization interaction13Mn-Based tin sulfide Sr 3 MnSn 2 S 8 with a wide band gap and strong nonlinear optical response30Rational design of a new chalcogenide with good infrared nonlinear optical performance: SrZnSnS 452SrCdSnQ 4 (Q = S and Se): infrared nonlinear optical chalcogenides with mixed NLO-active and synergetic distorted motifs68Two rare-earth-based quaternary chalcogenides EuCdGeQ 4 (Q = S, Se) with strong second-harmonic generation66SrCdGeS4 and SrCdGeSe4: Promising Infrared Nonlinear Optical Materials with Congruent-Melting Behavior74BaHgGeSe 4 and SrHgGeSe 4 : Two New Hg-Based Infrared Nonlinear Optical Materials142Sr 6 Cd 2 Sb 6 O 7 S 10 : Strong SHG Response Activated by Highly Polarizable Sb/O/S Groups124Sr6Cd2Sb6O7S10: Strong SHG Response Activated by Highly Polarizable Sb/O/S Groups22AHgSnQ4 (A = Sr, Ba; Q = S, Se): A Series of Hg-Based Infrared Nonlinear-Optical Materials with Strong Second-Harmonic-Generation Response and Good Phase Matchability76Sn2Ga2S5: A Type of IR Nonlinear-Optical Material22Pyrene Based NLOphoric D‐π‐A‐π‐D Coumarin‐Chalcone and Their Red Emitting OBO Difluoride Complex: Synthesis, Solvatochromism, Z‐scan, and Detailed TD‐DFT Studies24Nonlinear Optical Crystals for Second Harmonic Generation19Rational design of infrared nonlinear optical chalcogenides by chemical substitution287Coordinated regulation on critical physiochemical performances activated from mixed tetrahedral anionic ligands in new series of Sr 6 A 4 M 4 S 16 (A = Ag, Cu; M = Ge, Sn) nonlinear optical materials28Experimental and theoretical studies of the ternary thiophosphate PbPS 3 featuring ethane-like [P 2 S 6 ] 4− units15New quaternary chalcogenide Ba 4 HgAs 2 S 10 originating from the combination of linear [HgS 2 ] 2− and tetrahedral [AsS 4 ] 3− modules8Non-centrosymmetric sulfides A 2 Ba 6 MnSn 4 S 16 (A = Li, Ag): syntheses, structures and properties21Experimental and theoretical investigation of linear and nonlinear optical properties of ethyl‐3‐hydroxy‐2‐napthoate azo dyes by solvatochromic, computational aspects, and Z‐scan technique30One-Dimensional Double Chains in Sodium-Based Quaternary Chalcogenides Displaying Intriguing Red Emission and Large Optical Anisotropy17AGaSnS4 (A = Rb, Cs): Three sulfides and their structure diversity8Mild solvothermal syntheses and characterizations of two layered sulfides Ba2Cu2Cd2S5 and Ba3Cu4Hg4S915Inherent laws between tetrahedral arrangement pattern and optical performance in tetrahedron-based mid-infrared nonlinear optical materials130Static- and frequency-dependent NLO properties of dithienothiophene and thienothiophene bridges — A computational investigation4Sr6(Li2Cd)A4S16 (A = Ge, Sn): How to Go beyond the Band Gap Limitation via Site-Specific Modification40EuHgGeSe 4 and EuHgSnS 4 : Two Quaternary Eu-Based Infrared Nonlinear Optical Materials with Strong Second-Harmonic-Generation Responses55Aliovalent-cation-substitution-induced structure transformation: a new path toward high-performance IR nonlinear optical materials47Copper( ii ) complexes with tridentate halogen-substituted Schiff base ligands: synthesis, crystal structures and investigating the effect of halogenation, leaving groups and ligand flexibility on antiproliferative activities49Heterovalent cations substitution to design asymmetric chalcogenides with promising nonlinear optical performances44Polymeric lead(II) phosphor featuring cubane [Pb4] and [Pb8] units: Organic vs inorganic binding competition, colour regulation and white luminescence2Ionothermal Synthesis of Two New Thioantimonates with Transition Metal Regulation4Solvothermal synthesis and properties of three antimony chalcogenides containing transition metal zinc13Transition-metal-based chalcogenides: A rich source of infrared nonlinear optical materials184Noncentrosymmetric Ba6In2Q10 (Q = S, Se): Structural Chemistry and Nonlinear-Optical Activity11First-principles study of opto-electronic and thermoelectric properties of SrCdSnX4 (X=S, Se, Te) alkali metal chalcogenides34Infrared nonlinear optical sulfide CsCd 4 In 5 S 12 exhibiting large second harmonic generation response16Rational design via dual-site aliovalent substitution leads to an outstanding IR nonlinear optical material with well-balanced comprehensive properties68Two Nonlinear Optical Thiophosphates Cu 5 Hg 0.5 P 2 S 8 and AgHg 3 PS 6 Activated by Their Tetrahedra-Stacking Architecture12A new non-stoichiometric quaternary sulfide Ba3.14(4)Sn0.61(1)Bi2.39(1)S8: Synthesis, crystal structure, physical properties, and electronic structure7SrZnSnSe4: A quaternary selenide with large second harmonic generation and birefringence39SrZnGeS 4 : A Dual‐Waveband Nonlinear Optical Material with a Transparency Spanning UV/Vis and Far‐IR Spectral Regions88SrZnGeS4: A Dual‐Waveband Nonlinear Optical Material with a Transparency Spanning UV/Vis and Far‐IR Spectral Regions12A comprehensive review on metal chalcogenides with three-dimensional frameworks for infrared nonlinear optical applications114Linear, nonlinear optical properties and structure-property relationships in ESIPT-rhodols6Solvothermal syntheses, crystal structures, and photocurrent responses of quaternary sulfides RbAgZnS2 and Cs2Ag2Zn2S45AIB3IIC3IIIQ8VI: A New Family for the Design of Infrared Nonlinear Optical Materials by Coupling Octahedra and Tetrahedra Units152Upconversion luminescence and temperature sensing properties of Er3+/Yb3+/Gd3+ co-doped YNbO4 phosphors4Heteroanion-introduction-driven birefringence enhancement in oxychalcogenide Ba 3 M II Ge 3 O 2 S 8 (M II = Mn, Cd)19Recent progress in the design of IR nonlinear optical materials by partial chemical substitution: Structural evolution and performance optimization133Optimal Design of Mid-Infrared Nonlinear-Optical Crystals: From SrZnSnSe 4 to SrZnSiSe 422Ruizhongite, (Ag2☐)Pb3Ge2S8, a thiogermanate mineral from the Wusihe Pb-Zn deposit, Sichuan Province, Southwest China11First principles quantum analysis of structural, electronic, optical and thermoelectric properties of XCu2GeQ4 (X = Ba, Sr and Q = S, Se) for energy applications27A ll HgM IV S 4 (A ll = Sr, Ba, M IV = Si, Ge): A Series of Materials with Large Second Harmonic Generation Response and Wide Band Gaps27Multi-step cation substitution facilitating the exploration of potential infrared nonlinear optical materials6Hydrazine-Assisted Synthesis, Structures, Photoelectricity, and Photocatalysis of Ternary Mercury–Tellurostannate Hybrids with Transition-Metal Complexes4Infrared nonlinear optical materials with multiple strongly ionic cations5Ae3[TO3][SnOQ3] (Ae = Sr, Ba; T = Si, Ge; Q = S, Se) and Ba3[CO3][MQ4] (M = Ge, Sn; Q = S, Se): Design and Syntheses of a Series of Heteroanionic Antiperovskite-Type Oxychalcogenides29Large Mid-Infrared Second-Harmonic Generation in Eu(II)-Based Quaternary Chalcogenides19Designing infrared nonlinear optical crystals, Sr 2 MgSn 2 OS 6 and Sr 2 SnGa 2 OS 6 , with hybrid anionic frameworks via a double substitution strategy4DFT‐Based Investigation of Electronic, Optical, and Thermoelectric Properties of TaCu 3 X 4 (X = S, Se, Te) Chalcogenides for Optoelectronic and Energy Applications5Isovalent cation substitution drives structural transformation and infrared nonlinear optical activity in Eu-based chalcogenides11Cd5As2Br4: A Ternary Arsenide with Nonlinear Optical Property3Ionothermal syntheses, structures, and photocurrent responses of two-dimensional layered thiostannates1Eu(II)‐Based Quaternary Chalcogenides with Noncentrosymmetric Structures Stabilized by Site Disorder of d10 Metal Cations4Nonbonding Electron Inversion‐Driven Structural Engineering: Synergistic Enhancement of Linear and Nonlinear Optical Properties3Nonbonding Electron Inversion‐Driven Structural Engineering: Synergistic Enhancement of Linear and Nonlinear Optical Properties26Theoretical Exploration of Nonlinear Optical Properties in Thiophene‐Based Azo Dyes4Cation Equivalent Multisubstitution Realizing Structure Transformation and Balanced Nonlinear Optical Performance of Quaternary Eu-Based Chalcogenides8Ternary Antimony Selenide Semiconductors: Synthesis, Crystal Structure, Electronic Structure, and Optical Properties5Magnetic Properties and Large Second-Harmonic Generation Response of a Chiral Ternary Chalcogenide: Eu 2 SiSe 48Syntheses, Structures, and Characterizations of Two Superatom-Based Cubic Perovskites0Structure-property relationships in IR nonlinear optical chalcogenides with stereochemically active lone pairs29Ba 10 Zn 7 Ga 6 S 26 : Promising Infrared Nonlinear Optical Crystal Exhibiting a High Laser Damage Threshold0SrZnSiS4: Shattering the 4.0 eV Threshold toward Dual-Optimized Bandgap and Second-Harmonic Generation5SrZnGeSe4: An Infrared Nonlinear Optical Crystal Material with Wide Transmission Range and Large SHG Response6Ba-based IR nonlinear optical materials: synthesis, growth, structures, and properties6Theoretical design and exploration of novel quaternary chalcogenides Cu3MScSe4 (M = Zn, Cd, Hg) for photovoltaic applications8ABCQ4型硫属化物红外非线性光学材料的构效关系(特邀)0SrMnGeS 4 : A Two-Dimensional Layered Chalcogenide with Magnetic Triangular Lattice0Synergistic Distortion Engineering: Activating Nonlinear Optical Response in Quaternary Chalcogenides via Lattice‐Induced [MnS 4 ] Asymmetry1

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