Synthesis,Crystal Structure and Photoluminescence of a TADF Cuprous Complex

A cuprous mononuclear copper complex [Cu(adpypz)CH3CNPPh3]BF4·CH2Cl2(1, adpypz = 9,9-dimethyl-10-(6-(3-phenyl-1H-pyrazol-1-yl)pyridin-2-yl)-9,10-dihydroacridine) was synthesized and characterized by Elemental Analysis, NMR, UV-Vis and X-ray single-crystal structure analysis. It crystallizes in triclinic, space group P1 with a = 11.3388(4), b = 13.4569(4), c = 16.2561(6) ?, α = 97.154(3), β = 92.187(3), γ = 114.119(4)°, V = 2235.38(13) ?3, Z = 2, Mr = 967.12, Dc = 1.437 g/cm~3, F(000) = 996, μ = 2.62 mm~(–1), GOOF = 1.031, the final R = 0.0417, and w R = 0.1024 for 8043 observed reflections with I 2σ(I). The Cu(I) atoms in the complex are four-coordinated and adopt a tetrahedral coordination geometry. In the solid state, the complex exhibits bluish-green photoluminescence with emission peaks λmax = 492 nm(1), lifetimes 235 μs and quantum yields(ф = 0.279) at room temperature. The studies of varied temperature emission spectra and decay behaviours of the complex indicate that the complex displays thermally activated delayed fluorescence(TADF) at room temperature. The results of the experimental and DFT calculations suggest that the emission in the solid state originates from the ILCT excited states.     

Synthesis,Crystal Structure and Photoluminescence of a TADF Dinuclear Cu(Ⅰ) Complex

A binuclear Cu(Ⅰ) complex[Cu(PCNP)(mepypz)]_2(BF_4)_2 (1,PCNP=2,6-bis(diphenylphosphine)-benzonitrile,mepypz=2-methyl-6-(1H-pyrazol-3-yl)-pyridine was synthesized from the reaction of Cu(CH_3CN)_4BF_4,PCNP and mepypz in CH_2Cl_2 at room temperature.The compound was characterized by NMR,UV-vis and X-ray single-crystal structure analysis.It crystallizes in monoclinic space group P2_1/c with a=14.0139(5),b=11.8149(3),c=27.1248(10)?,β=96.686(4)°,V=4460.6(3)?~3,Z=2,M_r=1561.97,D_c=1.163 g/cm~3,F(000)=1600.0,μ=1.774 mm~(–1),GOOF=1.071,the final R=0.0523 and w R=0.1412 for 7919 observed reflections with I2σ(I).The Cu atoms in the complex are four-coordinated and adopt a distorted tetrahedral coordination geometry.In the solid state,the complex exhibits yellowish-green emission with a peak wavelength of 546 nm,a lifetime of 390μs,and a quantum yield of 0.45 at room temperature.The temperature-dependent investigation of luminescent properties suggests that the complex emits thermally activated delayed fluorescence (TADF) at room temperature.     

Synthesis,Crystal Structure and Photoluminescence of a Dinuclear Cuprous Complex with Thiocyanate Bridges

A cuprous dinuclear copper complex [PPh_2PAr_2Cu(μ-SCN)_2CuPPh_2PAr_2](1,PPh_2PAr_2 =(1-bis(2-methylphenyl)-phosphine-2-diphenylphosphino)benzene) was synthesized from the reaction of Cu SCN and PPh_2PAr_2 in CH_3CN at room temperature. The compound was characterized by Elemental Analysis,NMR,UV-Vis and X-ray single-crystal structure analysis. It crystallizes in triclinic,space group P1 with a = 10.225(2),b = 11.360(2),c = 13.420(3) ?,α = 95.81(3),β = 93.45(3),γ = 113.78(3)°,V = 1410.4(5) ?~3,Z = 1,Mr = 1192.21,Dc = 1.404 g/cm~3,F(000) = 616,μ = 3.029 mm~(–1),GOOF = 1.052,the final R = 0.0359,and w R = 0.0964 for 4878 observed reflections with I 2σ(I). The Cu(I) atoms in the complex are four-coordinated and adopt a tetrahedral coordination geometry. The copper centers in the molecular structure are bridged by two thiocyanate anions and each Cu(I) is chelated further terminally by a PPh_2PAr_2 ligand. The [Cu(μ-SCN)_2Cu] cores have essential planar configurations. In the solid state,the complex exhibits blue photoluminescence with emission peaks λ_(max)= 478 nm(1),lifetimes 4.7 μs and quantum yields(ф = 0.43) at room temperature. The studies of varied temperature emission spectra and decay behaviours of the complex indicate that it displays thermally activated delayed fluorescence at room temperature. The results of the experimental and DFT calculations suggest that the emission in the solid state originates from the ~(1,3)MLCT excited states.     

Synthesis, Crystal Structure and Catalytic Behavior of 1-Ethyl-3-benyl-imidazolyl Tetranuclear N-Heterocyclic Carbene Silver Bromide

The title complex [Ag(carbene)2]2[Ag2Br4] has been synthesized by the reaction of Ag2O with 1-ethyl-3-benyl-imidazolium bromide in DMSO at room temperature, and characterized by elemental analysis, 1H NMR and single-crystal X-ray diffraction analysis. It crystallizes in triclinic, space group P with a = 10.1597(10), b =11.0646(11), c = 13.0245(14) , α = 102.230(2), β = 90.606, γ = 113.9250(10)o, V = 1300.3(2) 3, Mr = 748.06, Z = 2, Dc = 1.911 g/cm3, μ(MoKα) = 4.60 mm-1 and F(000) = 728. The structure was refined to R = 0.0316 and wR = 0.0835 for 3744 observed reflections with I > 2σ(I). The title compound crystallizes as a centrosymmetric tetranuclear compound. One half of the molecule comprises the asymmetric unit of the structure. The Ag(1) atom is nearly linear or T-shaped when the Ag(1)-Ag(2) interaction is taken into consideration, which is bi-coordinated by two carbene carbon atoms. The Ag(2) atom adopts tetrahedral geometry. The catalytic behavior of the title complex has been investigated, and the results indicate it has a highly catalytic activation for L-lactide polymerization.     

Synthesis and Crystal Structure of the Copper(Ⅱ) Complex with 1,10-Phenanthroline-5,6-dione

<正>The complex Cu(phon)(NO3)2(CH3CN) (phon = 1,10-phenanthroline-5,6-dione) has been synthesized and characterized by elemental analysis, infrared and UV-Vis spectra. X-ray diffraction analysis at room temperature indicates that the complex crystallizes in orthorhombic system, space group P212121 with a = 8.353(1), b = 11.299(2), c = 17.764(2) A, V= 1676.5(4) A3, Z = 4, C14H9CuN5O8, Mr = 438.8, Dc = 1.739 g/cm3, F(000) = 884 and μ(MoKα) = 1.361 mm-1. The final R and wR factors for the observed reflections with I > 2σ(I) are 0.0353 and 0.0855, respectively. R = 0.0432 and wR = 0.0899 for all data. The structure of the title complex consists of a neutral mononuclear entity. The central Cu (II) atom is five-coordinated by two nitrogen donors of one ligand, two unidentate NO3- ions and one CH3CN molecule. The coordination geometry of Cu (II) can be considered as a distorted trigonal bipyramidal configuration. The complex ability of the NO3-ion has more effect than that of the ClO4- ion on the structure of th     

Synthesis,X—Ray Structure and Characterization of a Triruthenium Cluster Complex Ru^Ⅲ3（μ3—O）（μ—CH3COO）6（py）2Cl with Four Steps One—electron Redox Processes

The synthesis and crystal structure of oxo-centered carboxylate-bridge trinuclear ruthenium complex,Ru3O(CH3OO)6(py)2Cl(py=pyridine)(1),are reported herein.The complex 1 has been characterized by IR,cyclic voltammetry (CV),UV-Vis and X-ray crystal analysis.The complex 1 in 0.1 mol/L (n-C4H9)4HPF6-CH2Cl2 solution at room temperature shows four oneelectron redox processes at E1/2=-1.38,1.20,-0.17 and 1.07V vs. Ag/AgCl.     

Synthesis,Crystal Structure and Photoluminescence of a Blue-emitting Dinulear Copper Complex

A binuclear cuprous complex [Cu(μ-I)(NP)]_2·CH_2Cl_2(1, NP = 1-(2-(diphenylphosphino)phenyl)-3,5-dimethylpyrazole) was synthesized and characterized by elemental analysis, NMR, UV-Vis and X-ray single-crystal structure analysis. It crystallizes in triclinic space group P1 with a = 9.2838(6), b = 12.2672(7), c = 12.4033(7) ?, α = 114.941(6), β = 108.707(5), γ = 91.717(5)o, V = 1190.51(12) ?~3, Z = 1, M_r = 1178.58, D_c = 1.644 g/cm~3, F(000) = 582, μ = 13.232 mm~(-1), GOOF = 1.016, the final R = 0.0384 and wR = 0.1015 for 4145 observed reflections with I 2σ(I). The Cu atoms in the complex are four-coordinated and adopt a distorted tetrahedral coordination geometry. In the solid state, the complex exhibits blue photoluminescence with a peak maximum of 468 nm, a decay time of 9 μs, and a photoluminescence quantum yield of 16.8% at room temperature, respectively. The studies of varied temperature emission spectra and decay behaviours of the complex indicate that the complex displays thermally activated delayed fluorescence(TADF) at room temperature. The results of experimental and DFT calculations suggest that the excited states in the solid state are of(M+X+L)LCT character.     

Synthesis,Structure and Photoluminescence of a Cu_2I_2 Complex with an Acridine-modified Diimine Ligand

A dinuclear cuprous complex [(mapypz)Cu(μ-I)2 Cu(mapypz)](1, mapypz = 9,9-dimethyl-10-(6-(3-phenyl-1H-pyrazol-1-yl)-pyridin-3-yl)-9,10-dihydroacridine) was synthesized from the reaction of equivalent CuⅠ and mapypz at room temperature. The compound crystallizes in monoclinic space group P2_1/c with a = 13.8300(4), b = 9.5365(2), c = 19.0833(5) ?, β = 103.017(3)o, V = 2452.23(11) ?~3, Z = 2, M_r = 1237.92, D_c = 1.677 g/cm~3, F(000) = 1232, μ = 11.334 mm~(–1), GOOF = 1.001, the final R = 0.0330, and wR = 0.0741 for 4627 observed reflections with Ⅰ 2σ(Ⅰ). The Cu(I) atoms in the complex are four-coordinated with a distorted tetrahedral coordination geometry. The copper centers in the molecular structure are bridged by two iodide anions and each Cu(I) is chelated further terminally by a diimine ligand. The [Cu(μ-I)2 Cu] core is planar. Ⅰn the solid state, the complex exhibits orange photoluminescence with emission peak λ_(max) = 568 nm, lifetime τ = 16 μs and quantum yield ф = 0.22 at room temperature. The studies of varied temperature emission spectra and decay behaviours of the complex indicate that it displays thermally activated delayed fluorescence at room temperature. The results of experimental and DFT calculations suggest that the emission in the solid state originates from the 1,3 MLCT excited states.     

Synthesis,Crystal Structure and Photoluminescence of a TADF Cuprous Complex

A four-coordinate mononuclear cuprous complex oCBP-Cu-Pym(1, oCBP =1,2-bis(diphenylphosphine)-nido-carborane, Pym = 2-methyl-6-(1 H-pyrazol-1-yl)pyridine) was synthe-sized and characterized by elemental analysis, NMR, UV-Vis and X-ray single-crystal structure analysis. It crystallizes in monoclinic space group C2/c with a = 28.4182(8), b =16.2994(4), c = 22.2708(5) ?, β = 127.219(2)°, V = 8214.8(3) ?3, Z = 8, Mr = 766.92, ρcalc = 1.24 g/cm3, F(000) = 3160, μ = 2.30 mm–1, GOOF = 1.063, the final R = 0.0700 and wR = 0.1903 for7158 observed reflections with I 2σ(I). The Cu(I) ion adopts a highly distorted tetrahedral geometry defined by two nitrogen and two phosphorous atoms. Under UV 365 nm at room temperature, this complex exhibits green emission with maximum emission peak at 516 nm,lifetime 32.4 μs and quantum yield(ф = 0.461) in the solid state. Photophysical investigation suggests that the emission of complex 1 at room temperature was attributed to TADF, which is strongly supported by theoretic calculation.     

Synthesis,Crystal Structure and Luminescent Properties of One New Ag（I） Complex Based on 3-Aminopyrazine-2-carboxylic Acid

One new AgI complex, [Ag(apca)(H2O)]n(Hapca = 3-aminopyrazine-2-carboxylic acid), has been prepared and structurally and spectroscopically characterized. The title complex(1) crystallizes in the monoclinic system P21/c(No. 14) with a = 14.3307(9), b = 14.9296(9), c = 6.5824(4) ?, β = 92.7430(10)o, V = 1406.70(15) ?3, Z = 8. M3r = 264.00, Dc = 2.493 g/cm, μ = 2.831 mm-1, F(000) = 1024, the final R = 0.0266 and wR = 0.0788 for 3107 observed reflections with I 2σ(I). Its structure features a three-dimensional(3D) network composed of one-dimensional(1D) [Ag(apca)(H2O)]n ribbons interconnected via weak hydrogen bonds and π-π interactions. Emission spectra of the title complex in the solid state at room temperature give strong green luminescence.     

Synthesis,Crystal Structure,and Photo-and Electro-luminescence of a TADF Cu(Ⅰ) Complex

A four-coordinate mononuclear cuprous complex [Cu(ac1m)POP]BF_4·0.5(C_6H_(14))· 0.5(C_2H_5OH)(1, ac1 m = 2-(2-ethoxyphenyl)-1-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline, POP = bis[2-(dipenylphosphino)phenyl]ether) was synthesized and characterized by elemental analysis, NMR, UV-vis, cyclic voltammetry and X-ray single-crystal structure analysis. It crystallizes in monoclinic space group P2_1/c with a = 17.0546(19), b = 15.4650(17), c = 23.685(2) ?, β = 104.007(11)°, V = 6061.1(12) ?~3, Z = 4, M_r = 1171.46, D_c = 1.284 g/cm~3, F(000) = 2432, μ = 1.50 mm~(–1), GOOF = 1.070, the final R = 0.059 and wR = 0.1640 for 8952 observed reflections with I 2σ(Ⅰ). Compound 1 is composed of a BF4-anion and a [Cu(ac1m)POP]~+ cation. The Cu(Ⅰ) ion adopts a tetrahedral coordination geometry defined by two nitrogen and two phosphorous atoms. The complex exhibits yellow luminescence with maximum emission peaks at 546 nm, lifetimes 15.1 μs and quantum yields(ф = 0.130) at room temperature. The complex displays thermally activated delayed fluorescence(TADF) at room temperature, which is proved experimentally and theoretically. And the organic light-emitting diode(OLED) with 1 as the light emitting material has the maximum current efficiency of 5.86 cd/A and the highest brightness of 3215 cd/m~2.     

Synthesis and Crystal Structure of the Copper(Ⅱ) Complex with Tris- (1,10-phenanthroline-5,6-dione)

The title complex [ CuL3 ] (C1O4)2 · 2H2O· 2CH3CN (L = 1, 10-phenanthroline-5, 6-dione) has been synthesized and characterized by elemental analysis, conductivity, infrared and UV-Vis spectra. X-ray diffraction analysis at room temperature indicates that the complex (C40H28Cl2 CuNsO16, Mr = 1011.14) crystallizes in orthorhombic system, space group P21 21 21 with a = 13. 983(1), b = 14. 310 (1), c =20.890(2) (A。), V = 4179.7(6) (A。)3, Z = 4, Dc= 1.607g/cm3, F(000) = 2026,μ(MoKa) = 0.736 mm-1. The final R and w,R factors are 0.0446 and 0. 1212 respectively with 8545 independent reflections. The title complex is composed of a discrete [CuL3 ]2+ cation, uncoordinated ClO4- anions, H2O and CH3CN molecules. The central Cu(Ⅱ) atom is six-coordinated by six nitrogen donors of three ligands. The coordination geometry of Cu(Ⅱ) could be considered as an approximately ideal octahedral configuration with little static Jahn-Teller distortion (the longest and shortest Cu- N bonds are 2. 102 vs 2. 139 (A。) with the mean length of 2. 122 (A。) ), which is very rare for a six-coordinated Cu(Ⅱ) complex.     

A 3-Connected 3D Microporous Metal-organic Framework with Intersected Channels and Rare DEH Topology

A novel metal-organic coordination polymer {[Cd(mppdc)(H2O)]·H2O}n(1, H2 mppdc = 2,6-dimethyl-4-phenylpyridine-3,5-dicarboxylic acid) was synthesized from the reaction of H2 mppdc, Cd(NO3)2·4H2O and CH3 OH under solvothermal conditions. The crystal is of tetragonal system, space group I41/a, with a = 19.109(2), b = 19.109(2), c = 24.317(7) A, V = 8880(3) A3, Z = 16, Mr = 417.68, Dc = 1.250 Mg/m3, F(000) = 3328, the final R = 0.0516 and w R = 0.1185(I 2σ(I)). Complex 1 displays a 3D microporous metal-organic framework with intersected channels and rare(8210) DEH topology. The complex exhibits strong photoluminescence at room temperature in the solid state.     

Structure and Luminescence Property of a Linear Tetranuclear Gold(Ⅰ)-thiolate Complex through Au-Au Interaction

The synthesis,structure and luminescent property of a tetranuclear gold(Ⅰ)complex with doubly bridging diethyldithiocarbamate(Et2dtc)and 1,1-bis(diphenylphosphino)ethene((Ph2P)2C=CH2)are described.The complex crystallizes in monoclinic space group C2/c with a=26.785(7),b=25.654(6),c=12.277(3)A,β=106.879(5)°,V=8073(4)A~3,Z=8,C31H32Au2F6NO3P2S2Sb,Mr=1222.32,Dc=2.011 g/cm~3,F(000)=4592,Rint=0.0529,T=293(2)K,μ=8.157 mm~(-1),the final R=0.0464 and wR=0.1444 for 5804 observed reflections with I2σ(Ⅰ).The intramolecular and intermolecular Au¨Au distances are 2.8670(9)and 3.2367(9)A,respectively.Weak emission appears at 517 nm at room temperature in the solid state.     

Synthesis,Crystal Structure and Photoluminescence of a Dinulear Copper Complex

A binuclear cuprous complex [Cu(μ-I)(NPPh)]2(1,NPPh = 1-(2-(diphenylphosphanyl)phenyl)-3-phenyl-4,5-dihydro-1 H-pyrazole) was synthesized and characterized by elemental analysis,NMR and X-ray single-crystal structure analysis.It crystallizes in triclinic space group P2_1/n with a = 10.7520(3),b = 18.1860(5),c = 11.8487(3) ?,β = 91.864(2),V = 2315.61(11) ?~3,Z = 4,Mr = 594.87,Dc = 1.706 g/cm~3,F(000) = 1176.0,μ = 12.582 mm~(–1),GOOF = 1.048,the final R = 0.0289 and wR = 0.0670 for 3787 observed reflections with I 2σ(I).The Cu atoms in the complex are four-coordinated and adopt distorted tetrahedral coordination geometry.In the solid state,the complex exhibits greenish yellow photoluminescence with a peak maximum of 533 nm,a decay time of 34 μs,and a photoluminescence quantum yield of 63.6% at room temperature,respectively.     

A New One-dimensional Chain-like Ag（I） Complex with Schiff Base Ligand Containing 4-Amino-1,2,4-triazole

The title compound,poly[N-[1-(3-pydidyl)ethylidene]-4H-1,2,4-triazol-4-amine sil-ver(I) tetrafluoroborate],[Ag(C9H9N5)(BF4)]n,is the result of complexing Ag cation with N-[1-(3-pydidyl)ethylidene]-4H-1,2,4-triazol-4-amine (L),and its crystal structure was determined by single-crystal X-ray diffraction.The crystal belongs to the monoclinic system,space group C2/c with a= 18.899(6),b=9.882(2),c=15.472(4),β=120.158(3)°,V=2498.5(11)3,C9H9AgBF4N5,Mr= 381.89,Dc=2.031 g/cm3,μ(MoKα)=1.659 mm-1,F(000)=1488,Z=8,the final R=0.0441 and wR=0.0619 for 1094 observed reflections (I 2σ(I)).In the structure,ligand L bridges the two metal Ag(I) centers in a bidentate fashion and each metal ion coordinates with two nitrogen atoms,forming a one-dimensional rectangular chain.The neighboring chains are connected by two additional Ag-N weak interactions into a 3D framework structure.The title compound shows blue fluorescence property at room temperature.     

Synthesis,Crystal Structure and Photophysical Properties of Cu（Ⅰ） Complexes Containing 2,5-Bis（pyridyl）-1,3,4-oxadiazole

Four novel Cu(Ⅰ) complexes,[Cu(o-PYO)(PPh3)2]BF4(1),[Cu(o-PYO)(DPEphos)]BF4(2),[Cu2 (o-PYO)(PPh3)3(CH3CN)](BF4)2(3) and [Cu2(o-PYO)(DPEphos)2 ](BF4)2(4) (o-PYO=2,5bis(pyridyl)-1,3,4-oxadiazole,PPh 3=triphenylphosphine,DPEphos=bis(2-(diphenylphosphanyl)phenyl)ether),have been synthesized and characterized by 1 H NMR,elemental analysis and single-crystal X-ray diffraction.The central cuprous ions in all complexes are surrounded by N and P atoms to form a distorted tetrahedral geometry,although one of the cuprous ions in complex 3 is coordinated by a PPh3 and an acetonitrile molecule due to the steric hindrance and weak coordination ability from monodentate PPh3 ligand.The UV-vis absorption spectra in CH2Cl2 show the characteristic metal-to-ligand charge transfer (MLCT) absorption bands in the region of 360-480nm.Four Cu(I) complexes exhibit yellow to orange-red phosphorescence with the emission maximum at 572,577,562 and 597nm,respectively in the solid state.     

A 2D Copper(Ⅱ) Complex with Half Paddlewheel-like Building Block Controlled by 1,2,4,5-Benzenetetracarboxylic Acid: Synthesis,Crystal Structure and Luminescence Property

Self-assembly reaction of 1,2,4,5-benzenetetracarboxylic acid(H_4 btc) with CuCl_2 in mixed N,N-dimethylformamide(DMF), methanol and aqueous solution at room temperature generated a 2D complex, [Cu(btc)_(0.5)(DMF)(H_2 O)]_n(1) which was further characterized by X-ray diffraction, IR spectrum, elemental analysis and TG-DTA experiments. The structure determination reveals that the fundamental unit of complex 1 contains one Cu(Ⅱ) ion, half a btc~(4–), one DMF molecule and one water molecule, forming a half paddlewheel-like building block [Cu_2(btc)(DMF)_2(H_2 O)_2] which is different from those previous Cu-btc(Ⅱ) polymers obtained either in water or other media without water. It crystallizes in monoclinic system, space group C2/c with a = 22.8209(14), b = 9.2244(6), c = 10.8876(7) ?, b = 117.5210(10)o, V = 2032.6(2) ?~3, Z = 2, C_8 H_(10) CuNO_6, M_r = 279.71, D_c = 1.828 g/cm~3, μ = 2.162 mm-1, F(000) = 1136, the final R = 0.0225 and wR = 0.0652 with I 2s(I). Furthermore, the thermal stability of complex 1 is observed to be dependent on the polymeric structure nature. And the luminescent measurements show that complex 1 produces strong emission at room temperature.     

Synthesis, Crystal Structure and Photoluminescent Property of a Novel Silver(I) Compound {[Ag(bpp)]_2(Hphth)(NO_3)·(H_2O)_2}_n

Self-assembly of Ag(I) nitrate, 1,3-bis(4-pyridyl)propane (bpp) and phthalic acid monopotassium salt (KHphth) in CH3OH-H2O solution produced the title complex, {[Ag(bpp)]2(Hphth)(NO3)·(H2O)2}n, which was characterized by single-crystal X-ray diffraction, elemental analysis, IR spectrum, and photoluminescent spectrum. Single-crystal X-ray analysis revealed that the complex crystallizes in a monoclinic system, space group P21/c, with a = 15.4174(5), b = 8.6398(2), c = 25.2466(8) , β = 91.072(1)o, V = 3362.34(17) 3, Z = 4, C34H37N5O9Ag2, Mr = 875.43, Dc = 1.729 g/cm3, μ = 1.228 mm-1, F(000) = 1768, the final R = 0.0749 and wR = 0.1580 for 5754 reflections with I > 2σ(I). The Ag atom is coordinated by two N atoms from two bpp molecules in an approximately linear geometry. The Ag(I) ions are linked by the bpp molecules to form one-dimensional zigzag chains propagating along the c axis. The Hphth- and nitrate counter-ions are bridged by solvent water molecules through hydrogen bonds to generate a one-dimensional chain extending along the b axis. Electrostatic interactions between cations and anions, extensive hydrogen bonds and π-π interactions are responsible for the three-dimensional supramolecular structure. In the solid state, the compound exhibits blue photoluminescence with the maximum at 436 nm upon excitation at 344 nm.     

A New Copper（Ⅰ） Iodide Coordination Polymer Incorporating Cu2I2 Double-stranded Stair: Synthesis,Crystal Structure and Luminescent Property

A new coordination compound, [(CuI)(Btd)]n(1, Btd=2,1,3-benzothiadiazole), was obtained at room temperature by the reaction of 2,1,3-benzothiadiazole with CuI and KI saturated aqueous solution. It was characterized by elemental analysis, IR spectroscopy, single-crystal X-ray diffraction analysis and photoluminescence. The complex crystallizes in the triclinic Pī space group, with a=4.1620(6), b=10.4590(15), c=10.5052(15), α=69.310(2), β=83.608(2), γ=78.873(2)o, V=419.30(10)3 , Z=2, C6H4N2SCuI, Mr=326.61, Dc=2.587 g/cm3 , F(000)=304 and μ(MoKα)=6.464 mm-1 . The final R=0.0418 and wR=0.0936 for 1451 observed reflections with I>2σ(I) and R=0.0422 and wR=0.0939 for all data. In the complex, the Cu atoms are coordinated by one nitrogen atom and three iodine atoms to form a double-stranded stair, and such stairs are further linked to build a 2D framework via C-H…I interactions.