Two Cu(Ⅰ)complexes[Cu(Bphen)(dppBz)]ClO_(4)·2CH_(3)OH(1)and[Cu_(2)(Bphen)_(2)(dpppda)]BF_(4)(2){Bphen=4,7-diphenyl-1,10-phenanthroline,dppBz=1,2-Bis(diphenylphosphino)benzene,dpppda=N1,N1,N4,N4-tetrakis[(dipheny...Two Cu(Ⅰ)complexes[Cu(Bphen)(dppBz)]ClO_(4)·2CH_(3)OH(1)and[Cu_(2)(Bphen)_(2)(dpppda)]BF_(4)(2){Bphen=4,7-diphenyl-1,10-phenanthroline,dppBz=1,2-Bis(diphenylphosphino)benzene,dpppda=N1,N1,N4,N4-tetrakis[(diphenylphosphino)methyl]-1,4-benzenediamin}were synthesized using a one-pot method.X-ray crystallography was used to elucidate their crystal structures and photophysical properties.A series of characterization tests including elemental analysis,NMR,FT-IR,UV-Vis absorption spectroscopy,fluorescence spectroscopy,thermal gravimetric analysis and terahertz time-domain spectroscopy(THz-TDS)were used to further investigate their properties.The results show that complex 1 structure is mononuclear containing two solvent molecules per unit cell,while complex 2 structure is binuclear containing two metal centers per unit cell.According to photophysical properties and density functional theory(DFT)calculations,their luminescence properties can be attributed to metal-to-ligand charge transfer(MLCT).Both complexes have a unique stability,which is confirmed by thermal gravimetric analysis.展开更多
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...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.展开更多
The vinylidenebis（diphenylphosphine） （vdpp） reacts with CuBr to give a tetranuclear complex, [Cu4（μ3-Br）2（μ2-Br）2（μ2-vdpp）2（CH3CN）2]·（CH3CN）2 1. The title complex has crystallo- graphically impos...The vinylidenebis（diphenylphosphine） （vdpp） reacts with CuBr to give a tetranuclear complex, [Cu4（μ3-Br）2（μ2-Br）2（μ2-vdpp）2（CH3CN）2]·（CH3CN）2 1. The title complex has crystallo- graphically imposed centrosymmetry and presents a CuaBr4 core with distorted stair-like structure. All copper（I） atoms in 1 assume distorted tetrahedral coordination geometry. The distance of 2.7745（11） A between the two copper centers indicates the presence of ligand-supported Cu…Cu interactions. Crystal data for 1： C_60H_56Br_4Cu_4N_4P_4, Mr= 1530.77, triclinic, space group P1, a = 11.6593（9）, b = 11.7181（9）, c = 13.8711（11） А, a = 110.1020（10）, β = 102.0050（10）, γ = 109.8040（10）°, V = 1557.5（2） А^3, Z = 1, Dc = 1.632 g/cm^3, F（000） = 760, λ= 0.71073А, T = 298（2） K, 2θmax = 50.04°,μ= 4.056 mm^-1, S = 1.181, R = 0.0507 and wR = 0.1025.展开更多
A four-coordinate mononuclear cuprous complex [Cu（ac1m）POP]BF4·0.5（C6H14）· 0.5（C2H5OH）（1, ac1 m = 2-（2-ethoxyphenyl）-1-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline, POP = bis[2-（dipenylphosphino）p...A four-coordinate mononuclear cuprous complex [Cu（ac1m）POP]BF4·0.5（C6H14）· 0.5（C2H5OH）（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 P21/c with a = 17.0546（19）, b = 15.4650（17）, c = 23.685（2） A, β = 104.007（11）°, V = 6061.1（12）A^3, Z = 4, Mr = 1171.46, Dc = 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.展开更多
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 Eleme...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.展开更多
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,...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.展开更多
A new copper（Ⅱ） complex, [Cu（BMI）4（SO4）]·DMF·2H2O （BMI = benzimidazole）, has been synthesized by the treatment of CuCN with 2-mercaptobenzimidazole in the presence of 1,10-phenanthroline, and charac...A new copper（Ⅱ） complex, [Cu（BMI）4（SO4）]·DMF·2H2O （BMI = benzimidazole）, has been synthesized by the treatment of CuCN with 2-mercaptobenzimidazole in the presence of 1,10-phenanthroline, and characterized by single-crystal X-ray diffraction. It crystallizes in monoclinic, space group P21/n with a = 17.6260（4）, b = 11.1252（3）, c = 18.6573（4）A°, β= 107.9010（10）°, V = 3481.45（14）A°^3, Z = 4, C31H35CuN9O7S, Mr= 741.28, F（000） = 1540, Dc = 1.414 g/cm^3,μ = 0.746 mm^-1, the final R = 0.0649 and wR = 0.1609 for 4382 observed reflections with I 〉 2σ（I）. The Cu（Ⅱ） atom is coordinated by five unidentate ligands （one sulfate and four benzimidazole ligands） generated in situ, displaying a slightly distorted square pyramid geometry.展开更多
A new copper（II） complex 3, Cu（C17H13F3O3）2·C5H5N, has been synthesized and characterized by single-crystal X-ray diffraction. It crystallizes in monoclinic, space group C2/c with a = 17.8511（7）, b = 17.413...A new copper（II） complex 3, Cu（C17H13F3O3）2·C5H5N, has been synthesized and characterized by single-crystal X-ray diffraction. It crystallizes in monoclinic, space group C2/c with a = 17.8511（7）, b = 17.4136（7）, c = 13.9425（7） A, β = 124.4830（10）°, V = 3572.5（3） A^3, Z = 4, C39H29CuF6NO6, Mr = 785.17,/7（000） = 1604, T = 292（2） K, Dc = 1.460 g/cm^3 and p = 0.691 mm^-1. The structure was refined to R = 0.0477 and wR = 0.1110 for 2935 observed reflections with I 〉 2σ（I）. For the title compound, X-ray analysis reveals that the copper（II） is penta-coordinated by four oxygen atoms from the corresponding 1-（4-（benzyloxy）phenyl）-4,4,4-trifluorobutane-1,3-dione ligands and one nitrogen atom of pyridine, forming a distorted square pyramidal geometry. It is found that the trifluoromethyl group, F（1）/F（1＇）, F（2）/F（2＇） and F（3）/F（3＇））, is disordered over two orientations in an approximate 3：1 ratio.展开更多
Reaction of 2-pyridone, copper acetate and terbium(or yttrium) perchlorate in acetone with the mole ratio 6: 2: 1 results in the formation of heteronuclear complex Ln_2Cu_4L_8 (HL)_4 (OH)_2 (ClO_4)_4 (H_20)_(10) 2CH_3...Reaction of 2-pyridone, copper acetate and terbium(or yttrium) perchlorate in acetone with the mole ratio 6: 2: 1 results in the formation of heteronuclear complex Ln_2Cu_4L_8 (HL)_4 (OH)_2 (ClO_4)_4 (H_20)_(10) 2CH_3COCH_3(Ln = Tb (1), Y (2)). By recrystallizing (1) in CHCl_3 single crystals were obtained and the structure was determined by four-circle diffractometer. Data showed that the crystal is in space group C2/m with a=27. 454(9)A, b=13, 608A, c=30. 556(11)A, β=99. 89(3)°, v=11245. 7(7. 5)A^3. The structure was solved by a combination of Patterson method and Fourier technique. The final R value is 0. 103. In the structure, four copper and two terbium ions are bridged by 2-pyridone anions to form an essentially octahedral Cu_4Tb_2 core. The terbium atoms are each eight-coordinate and the copper atoms are five-coordinate.展开更多
A novel three dimensional network complex polymer [Cu_4(oxen)_2(N_3)_3]_n(ClO_4)_n·2nH_2O, where oxen is N,N' -bis(2-aminoethyl)oxamide dianion, has been synthesized. It crystallizes in triclinic system, spac...A novel three dimensional network complex polymer [Cu_4(oxen)_2(N_3)_3]_n(ClO_4)_n·2nH_2O, where oxen is N,N' -bis(2-aminoethyl)oxamide dianion, has been synthesized. It crystallizes in triclinic system, space group P, with a=11.486(2), b=11.706(3), c=12.291(3) , α=77.42(2), β=67.59(2), γ=77.96(2)°, and z=2. The least-square refinements converged at R=0.047, with 3416 observed unique reflections. The complex has a pronounced three-dimensional character and can be viewed as the tetranuclear asymmetric repeating units through inversion and translation operations to extend a three-dimensional network. The structure of Cu_4 asymmetric unit consists of two square planar and two square pyramidal Cu central atoms linked by both azide ligands in end-on and end-to-end bonding modes, and oxamidate bridge in trans conformation.展开更多
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...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.展开更多
A cuprous dimer [Cu（POP）]2（pz4B）BF4·（CH3CN）3 （1, POP = bis（2-（diphenylphosphanyl）phenyl）ether, pz4B- = tetrakis（pyrazol-i-yl）borate anion） was synthesized from the reaction of Cu（CH3CN）4BF4, POP a...A cuprous dimer [Cu（POP）]2（pz4B）BF4·（CH3CN）3 （1, POP = bis（2-（diphenylphosphanyl）phenyl）ether, pz4B- = tetrakis（pyrazol-i-yl）borate anion） was synthesized from the reaction of Cu（CH3CN）4BF4, POP and Kpz4B in CH3CN at room temperature. The compound was characterized by elemental analysis and X-ray single-Crystal structure analysis. It crystallizes in monoclinic, space group P21/c with a = 12.3491（2）, b = 20.8845（3）, c = 33.0657（4） A, β = 94.251（1）°, V = 8504.3（2） A3, Z = 4, Mr = 1693.21, Dc = 1.322 g/cm3, F（000） = 3496,μ = 1.843 mm-1, GOOF = 1.031, the final R = 0.0442 and wR = 0.1235 for 14397 observed reflections with 1〉 2σ（I）. 1 is an ionic compound. It is composed of a BF4- anion and a {[Cu（POP）]2（pz4B）}＋ cation. The cation contains two [Cu（POP）]＋ cationic moieties and a pz4B- anionic linker. The Cu（I） ions show a distorted tetrahedral coordination geometry defined by two nitrogen atoms from a pz4B- bridging ligand and two phosphorous atoms from a POP terminal chelating ligand. The complex emits blue luminescence with the maximum peak at 457 nm with 3% quantum yield in solid state at room temperature. The Cu（I） centers are essentially electronically separated because both HOMO and LUMO contain very little contribution from the bridging ligand. The unexpected low emission is ascribed to the intramolecular interaction of the emissive centers.展开更多
Two new complexes [Ag（bix）]n·n NAA·n H2O（1） and [Cd（NAA）（phen）2（H2O）]2· 2CH3COO-·H2O（2）（bix = 1,4-bis（imidazol-1-ylmethyl）benzene,HNAA = α-naphthylacetic acid,phen = 1,10-phenanthro...Two new complexes [Ag（bix）]n·n NAA·n H2O（1） and [Cd（NAA）（phen）2（H2O）]2· 2CH3COO-·H2O（2）（bix = 1,4-bis（imidazol-1-ylmethyl）benzene,HNAA = α-naphthylacetic acid,phen = 1,10-phenanthroline） have been successfully synthesized under hydrothermal conditions.Their structures have been determined by elemental analyses,IR spectroscopy,TG and single-crystal X-ray diffraction analysis.The intermolecular hydrogen bonding or π-π stacking interactions extend the complexes into a 3D supramolecular structure.Moreover,the luminescent properties of complex 2 have been investigated in the solid state.展开更多
A new kind of Cu (II) complex [Cu(tpmb)2Cl2]·CH3OH·H2O (tpmb = 1,3,5-tri(2-pyrimidinyl)sulfanylmethyl-2,4,6-trimethylbenzene) was synthesized, and its structure has been determined by X-ray single-crystal di...A new kind of Cu (II) complex [Cu(tpmb)2Cl2]·CH3OH·H2O (tpmb = 1,3,5-tri(2-pyrimidinyl)sulfanylmethyl-2,4,6-trimethylbenzene) was synthesized, and its structure has been determined by X-ray single-crystal diffraction. It crystallizes in the triclinic, space group P 1 with a = 8.8397(2), b = 13.327(3), c = 13.926(3) A, α = 63.27(3), β = 86.96(3), r = 80.68(3)°, V = 1445.6(5) A3, C49H51Cl2CuN12O2S6, Mr= 1166.82,Z=1, F(000) = 604, Dc = 1.340 g/cm3, μ = 0.735 mm-1, R = 0.0545 and wR = 0.1575 for 4521 observed reflections (I > 2σ(I)). X-ray analysis reveals that the Cu (II) ion is coordinated by two Cl- anions and two nitrogen atoms from different pyrimidine groups, forming a square structure.展开更多
The title complex [AgL（NO3）]2 1, where L = 2-acetamido-5-methyl-1,3,4-thiadiazole, was prepared from the reaction of 2-acetamido-5-methyl-1,3,4-thiadiazole with AgNO3 at room temperature and its structure has been d...The title complex [AgL（NO3）]2 1, where L = 2-acetamido-5-methyl-1,3,4-thiadiazole, was prepared from the reaction of 2-acetamido-5-methyl-1,3,4-thiadiazole with AgNO3 at room temperature and its structure has been determined by single-crystal X-ray diffraction. The crystal is of monoclinic, space group P2t/c with a = 12.5454（8）, b = 11.9672（12）, c = 6.8925（6） A, β = 98.468（2）°. V= 1023.51（15） A^3, Mr= 3127.08, Dc = 2.123 g/cm^3, Z= 4, μ（MoKoσ） = 2.174 mm^-1, F（000） = 640, R = 0.0259 and wR = 0.0580 for 1787 observed reflections with I 〉 2σ（I）. Complex 1 self-assembls into a quasi-three-dimensional network consisting of adjacent dimers through intermolecular Ag...O weak interactions.展开更多
Reaction of Cu powder with 2-thenoyltrifluoroacetone and 2, 2-bipygave a complex [Cu(C8H4SO2F3) (2, 2' -bipy)]. The title compound is monoclinic sys-tem, sapce grop C2/c, a= 17. 892(5), b= 18. 495(4), c= 16. 242(6...Reaction of Cu powder with 2-thenoyltrifluoroacetone and 2, 2-bipygave a complex [Cu(C8H4SO2F3) (2, 2' -bipy)]. The title compound is monoclinic sys-tem, sapce grop C2/c, a= 17. 892(5), b= 18. 495(4), c= 16. 242(6) A, β=121. 02(2)°, Z=8, V=4606. 2 A3, Dc= 1. 512 g/cm3, μ= 12. 724 cm-1, F(000) = 1766,Mr = 440. 6, Final R = 0. 061 and R. = 0. 071. X-ray crystal structure analysis revealedthat copper(I) is coordinated by two O and two N atoms. The Cu(I) atom displays anearly square planar coordination geometry.展开更多
The title compound CuC14H22N2O9 was crystallized in the monoclinicspace group P21/n(# 14), with a= 9. 032(1), b= 13. 044(6), c= 14. 779(7) A, β=101. 50(3)°, V= 1706. 9(1) A 3, Dc= 1.54 g/cm3, Z=4, Mr= 425. 54, ...The title compound CuC14H22N2O9 was crystallized in the monoclinicspace group P21/n(# 14), with a= 9. 032(1), b= 13. 044(6), c= 14. 779(7) A, β=101. 50(3)°, V= 1706. 9(1) A 3, Dc= 1.54 g/cm3, Z=4, Mr= 425. 54, λ(Mo-Ka) =0. 71069A, μ= 13. 3 cm-1, F(000) = 780, the final R= 0. 058 and Rw= 0. 083 for2322 observable reflections with I> 3δ(I). The Cu atom is coordinated by two Natoms and three O atoms from cdta (cdta = trans-cyclohexane-1, 2-diamine-N, N,N’,N’-tetra-acetate) which acts as pentadentate ligand.展开更多
Dimeric complex 〔Cu(SbPh 3) 2I〕 2 has been synthesized by a solid state reaction at a low heating temperature and its crystal structure has been analyzed by X ray crystallography. The crystal is monoclinic, space gr...Dimeric complex 〔Cu(SbPh 3) 2I〕 2 has been synthesized by a solid state reaction at a low heating temperature and its crystal structure has been analyzed by X ray crystallography. The crystal is monoclinic, space group P2 1/a (#14), a = 20 436(5), b=14.125(3), c=24.683(3) , β=110.67(1)°, Z=4, V =6666(2) 3; C 72 H 60 Sb 4I 2Cu 2, M r = 1792, D c = 1.787 g·cm -3 , μ (Mo Kα ) = 31.88 cm -1 , F(000)=3440, R= 0.038 and R w= 0.043 for 5632 observed reflections ( I≥3.0σ(I) ) and 361 refined parameters. The result reveals the copper and the bridging iodide atoms form an approximately planar rhomboid array. Effects of the bulkiness of the ligands upon the structures of the analogous complexes are discussed.\;展开更多
The title compound,C10H56Cl10Cu4N4O5,Mr=1041.40,has been prepared by reaction of CuCl and choline chloride in CH3CN.It crystallizes in the monoclinic system,space group C2/c with a= 22.55 (1),b=10.442(2),c=18.742(3),...The title compound,C10H56Cl10Cu4N4O5,Mr=1041.40,has been prepared by reaction of CuCl and choline chloride in CH3CN.It crystallizes in the monoclinic system,space group C2/c with a= 22.55 (1),b=10.442(2),c=18.742(3),β=113.40(3)°,V=4050(3)3,Z=4,λ(MoKα)=0.71069,F(000)=2120,Dc=1.71 g/cm3 and μ(MoKα)=27.81 cm-1.The structure was solved by direct methods and refined by full-matrix least squares to final R and Rω values:0.070 and 0.076,respectively.The tetranuclear anion contains a central oxide ion coordinated tetrahedrally to four copper(Ⅱ) ions;the copper(Ⅱ) ions are bridged in pairs by six chloride ions.The remaining four chloride ions completed a trigonal-bipyramidal coordination sphere around each copper(Ⅱ) ion.There are two crystallographically independent and virtually identical cations in each asymmetrical unit.展开更多
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_(3)CN)_(4)BF_(4),PCNP ...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_(3)CN)_(4)BF_(4),PCNP and mepypz in CH_(2)Cl_(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)A,β=96.686(4)°,V=4460.6(3)A^(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 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 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.展开更多
基金supported by the Key Project of Science and Technology Plan of Beijing Education Commission(KZ20231002808)。
文摘Two Cu(Ⅰ)complexes[Cu(Bphen)(dppBz)]ClO_(4)·2CH_(3)OH(1)and[Cu_(2)(Bphen)_(2)(dpppda)]BF_(4)(2){Bphen=4,7-diphenyl-1,10-phenanthroline,dppBz=1,2-Bis(diphenylphosphino)benzene,dpppda=N1,N1,N4,N4-tetrakis[(diphenylphosphino)methyl]-1,4-benzenediamin}were synthesized using a one-pot method.X-ray crystallography was used to elucidate their crystal structures and photophysical properties.A series of characterization tests including elemental analysis,NMR,FT-IR,UV-Vis absorption spectroscopy,fluorescence spectroscopy,thermal gravimetric analysis and terahertz time-domain spectroscopy(THz-TDS)were used to further investigate their properties.The results show that complex 1 structure is mononuclear containing two solvent molecules per unit cell,while complex 2 structure is binuclear containing two metal centers per unit cell.According to photophysical properties and density functional theory(DFT)calculations,their luminescence properties can be attributed to metal-to-ligand charge transfer(MLCT).Both complexes have a unique stability,which is confirmed by thermal gravimetric analysis.
基金supported by the National Natural Science Foundation of China (Nos. 20874098,51073152 and 50772113)the Natural Science Foundation of Fujian Province (No. 2007F3116)
文摘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.
基金Supported by the Open Foundation of Ningbo Municipal Key Laboratory (2007A22003)the National Natural Science Foundation of China (20701022)the Ningbo Municipal Natural Science Foundation (2007A610024)
文摘The vinylidenebis（diphenylphosphine） （vdpp） reacts with CuBr to give a tetranuclear complex, [Cu4（μ3-Br）2（μ2-Br）2（μ2-vdpp）2（CH3CN）2]·（CH3CN）2 1. The title complex has crystallo- graphically imposed centrosymmetry and presents a CuaBr4 core with distorted stair-like structure. All copper（I） atoms in 1 assume distorted tetrahedral coordination geometry. The distance of 2.7745（11） A between the two copper centers indicates the presence of ligand-supported Cu…Cu interactions. Crystal data for 1： C_60H_56Br_4Cu_4N_4P_4, Mr= 1530.77, triclinic, space group P1, a = 11.6593（9）, b = 11.7181（9）, c = 13.8711（11） А, a = 110.1020（10）, β = 102.0050（10）, γ = 109.8040（10）°, V = 1557.5（2） А^3, Z = 1, Dc = 1.632 g/cm^3, F（000） = 760, λ= 0.71073А, T = 298（2） K, 2θmax = 50.04°,μ= 4.056 mm^-1, S = 1.181, R = 0.0507 and wR = 0.1025.
基金supported by the National Natural Science Foundation of China(21373221,21521061,51672271,21671190,21403236)the Natural Science Foundation of Fujian Province(2006L2005)
文摘A four-coordinate mononuclear cuprous complex [Cu（ac1m）POP]BF4·0.5（C6H14）· 0.5（C2H5OH）（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 P21/c with a = 17.0546（19）, b = 15.4650（17）, c = 23.685（2） A, β = 104.007（11）°, V = 6061.1（12）A^3, Z = 4, Mr = 1171.46, Dc = 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.
基金supported by the National Natural Science Foundation of China(51172232)
文摘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.
基金supported by the National Natural Science Foundation of China(21373221,21521061,51672271,21671190,21403236)the Natural Science Foundation of Fujian Province(2006L2005)
文摘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.
基金This work was supported by the NNSF of China (Nos. 20471061 and 30170229) and the Science & Technology Innovation Foundation for the Young Scholar of Fujian Province (No. 2005J059)
文摘A new copper（Ⅱ） complex, [Cu（BMI）4（SO4）]·DMF·2H2O （BMI = benzimidazole）, has been synthesized by the treatment of CuCN with 2-mercaptobenzimidazole in the presence of 1,10-phenanthroline, and characterized by single-crystal X-ray diffraction. It crystallizes in monoclinic, space group P21/n with a = 17.6260（4）, b = 11.1252（3）, c = 18.6573（4）A°, β= 107.9010（10）°, V = 3481.45（14）A°^3, Z = 4, C31H35CuN9O7S, Mr= 741.28, F（000） = 1540, Dc = 1.414 g/cm^3,μ = 0.746 mm^-1, the final R = 0.0649 and wR = 0.1609 for 4382 observed reflections with I 〉 2σ（I）. The Cu（Ⅱ） atom is coordinated by five unidentate ligands （one sulfate and four benzimidazole ligands） generated in situ, displaying a slightly distorted square pyramid geometry.
基金supported by the Natural Science Foundation of the Educational Commission of Hubei Province (No. Q20082202)
文摘A new copper（II） complex 3, Cu（C17H13F3O3）2·C5H5N, has been synthesized and characterized by single-crystal X-ray diffraction. It crystallizes in monoclinic, space group C2/c with a = 17.8511（7）, b = 17.4136（7）, c = 13.9425（7） A, β = 124.4830（10）°, V = 3572.5（3） A^3, Z = 4, C39H29CuF6NO6, Mr = 785.17,/7（000） = 1604, T = 292（2） K, Dc = 1.460 g/cm^3 and p = 0.691 mm^-1. The structure was refined to R = 0.0477 and wR = 0.1110 for 2935 observed reflections with I 〉 2σ（I）. For the title compound, X-ray analysis reveals that the copper（II） is penta-coordinated by four oxygen atoms from the corresponding 1-（4-（benzyloxy）phenyl）-4,4,4-trifluorobutane-1,3-dione ligands and one nitrogen atom of pyridine, forming a distorted square pyramidal geometry. It is found that the trifluoromethyl group, F（1）/F（1＇）, F（2）/F（2＇） and F（3）/F（3＇））, is disordered over two orientations in an approximate 3：1 ratio.
基金Project supported by China National Climbing plan and National Nature Science Foundation
文摘Reaction of 2-pyridone, copper acetate and terbium(or yttrium) perchlorate in acetone with the mole ratio 6: 2: 1 results in the formation of heteronuclear complex Ln_2Cu_4L_8 (HL)_4 (OH)_2 (ClO_4)_4 (H_20)_(10) 2CH_3COCH_3(Ln = Tb (1), Y (2)). By recrystallizing (1) in CHCl_3 single crystals were obtained and the structure was determined by four-circle diffractometer. Data showed that the crystal is in space group C2/m with a=27. 454(9)A, b=13, 608A, c=30. 556(11)A, β=99. 89(3)°, v=11245. 7(7. 5)A^3. The structure was solved by a combination of Patterson method and Fourier technique. The final R value is 0. 103. In the structure, four copper and two terbium ions are bridged by 2-pyridone anions to form an essentially octahedral Cu_4Tb_2 core. The terbium atoms are each eight-coordinate and the copper atoms are five-coordinate.
文摘A novel three dimensional network complex polymer [Cu_4(oxen)_2(N_3)_3]_n(ClO_4)_n·2nH_2O, where oxen is N,N' -bis(2-aminoethyl)oxamide dianion, has been synthesized. It crystallizes in triclinic system, space group P, with a=11.486(2), b=11.706(3), c=12.291(3) , α=77.42(2), β=67.59(2), γ=77.96(2)°, and z=2. The least-square refinements converged at R=0.047, with 3416 observed unique reflections. The complex has a pronounced three-dimensional character and can be viewed as the tetranuclear asymmetric repeating units through inversion and translation operations to extend a three-dimensional network. The structure of Cu_4 asymmetric unit consists of two square planar and two square pyramidal Cu central atoms linked by both azide ligands in end-on and end-to-end bonding modes, and oxamidate bridge in trans conformation.
基金supported by the National Natural Science Foundation of China(51172232)
文摘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.
基金supported by the National Natural Science Foundation of China(51172232)
文摘A cuprous dimer [Cu（POP）]2（pz4B）BF4·（CH3CN）3 （1, POP = bis（2-（diphenylphosphanyl）phenyl）ether, pz4B- = tetrakis（pyrazol-i-yl）borate anion） was synthesized from the reaction of Cu（CH3CN）4BF4, POP and Kpz4B in CH3CN at room temperature. The compound was characterized by elemental analysis and X-ray single-Crystal structure analysis. It crystallizes in monoclinic, space group P21/c with a = 12.3491（2）, b = 20.8845（3）, c = 33.0657（4） A, β = 94.251（1）°, V = 8504.3（2） A3, Z = 4, Mr = 1693.21, Dc = 1.322 g/cm3, F（000） = 3496,μ = 1.843 mm-1, GOOF = 1.031, the final R = 0.0442 and wR = 0.1235 for 14397 observed reflections with 1〉 2σ（I）. 1 is an ionic compound. It is composed of a BF4- anion and a {[Cu（POP）]2（pz4B）}＋ cation. The cation contains two [Cu（POP）]＋ cationic moieties and a pz4B- anionic linker. The Cu（I） ions show a distorted tetrahedral coordination geometry defined by two nitrogen atoms from a pz4B- bridging ligand and two phosphorous atoms from a POP terminal chelating ligand. The complex emits blue luminescence with the maximum peak at 457 nm with 3% quantum yield in solid state at room temperature. The Cu（I） centers are essentially electronically separated because both HOMO and LUMO contain very little contribution from the bridging ligand. The unexpected low emission is ascribed to the intramolecular interaction of the emissive centers.
基金supported by the Science and Technology Development Project of Jilin Provincial Science&Technology Department(201205080)the Science and Technology Research Projects of the Education Office of Jilin Province(No.2013.384)
文摘Two new complexes [Ag（bix）]n·n NAA·n H2O（1） and [Cd（NAA）（phen）2（H2O）]2· 2CH3COO-·H2O（2）（bix = 1,4-bis（imidazol-1-ylmethyl）benzene,HNAA = α-naphthylacetic acid,phen = 1,10-phenanthroline） have been successfully synthesized under hydrothermal conditions.Their structures have been determined by elemental analyses,IR spectroscopy,TG and single-crystal X-ray diffraction analysis.The intermolecular hydrogen bonding or π-π stacking interactions extend the complexes into a 3D supramolecular structure.Moreover,the luminescent properties of complex 2 have been investigated in the solid state.
基金This work was supported by NNSFC(No.39970177,29733090 and 29973047)
文摘A new kind of Cu (II) complex [Cu(tpmb)2Cl2]·CH3OH·H2O (tpmb = 1,3,5-tri(2-pyrimidinyl)sulfanylmethyl-2,4,6-trimethylbenzene) was synthesized, and its structure has been determined by X-ray single-crystal diffraction. It crystallizes in the triclinic, space group P 1 with a = 8.8397(2), b = 13.327(3), c = 13.926(3) A, α = 63.27(3), β = 86.96(3), r = 80.68(3)°, V = 1445.6(5) A3, C49H51Cl2CuN12O2S6, Mr= 1166.82,Z=1, F(000) = 604, Dc = 1.340 g/cm3, μ = 0.735 mm-1, R = 0.0545 and wR = 0.1575 for 4521 observed reflections (I > 2σ(I)). X-ray analysis reveals that the Cu (II) ion is coordinated by two Cl- anions and two nitrogen atoms from different pyrimidine groups, forming a square structure.
文摘The title complex [AgL（NO3）]2 1, where L = 2-acetamido-5-methyl-1,3,4-thiadiazole, was prepared from the reaction of 2-acetamido-5-methyl-1,3,4-thiadiazole with AgNO3 at room temperature and its structure has been determined by single-crystal X-ray diffraction. The crystal is of monoclinic, space group P2t/c with a = 12.5454（8）, b = 11.9672（12）, c = 6.8925（6） A, β = 98.468（2）°. V= 1023.51（15） A^3, Mr= 3127.08, Dc = 2.123 g/cm^3, Z= 4, μ（MoKoσ） = 2.174 mm^-1, F（000） = 640, R = 0.0259 and wR = 0.0580 for 1787 observed reflections with I 〉 2σ（I）. Complex 1 self-assembls into a quasi-three-dimensional network consisting of adjacent dimers through intermolecular Ag...O weak interactions.
文摘Reaction of Cu powder with 2-thenoyltrifluoroacetone and 2, 2-bipygave a complex [Cu(C8H4SO2F3) (2, 2' -bipy)]. The title compound is monoclinic sys-tem, sapce grop C2/c, a= 17. 892(5), b= 18. 495(4), c= 16. 242(6) A, β=121. 02(2)°, Z=8, V=4606. 2 A3, Dc= 1. 512 g/cm3, μ= 12. 724 cm-1, F(000) = 1766,Mr = 440. 6, Final R = 0. 061 and R. = 0. 071. X-ray crystal structure analysis revealedthat copper(I) is coordinated by two O and two N atoms. The Cu(I) atom displays anearly square planar coordination geometry.
文摘The title compound CuC14H22N2O9 was crystallized in the monoclinicspace group P21/n(# 14), with a= 9. 032(1), b= 13. 044(6), c= 14. 779(7) A, β=101. 50(3)°, V= 1706. 9(1) A 3, Dc= 1.54 g/cm3, Z=4, Mr= 425. 54, λ(Mo-Ka) =0. 71069A, μ= 13. 3 cm-1, F(000) = 780, the final R= 0. 058 and Rw= 0. 083 for2322 observable reflections with I> 3δ(I). The Cu atom is coordinated by two Natoms and three O atoms from cdta (cdta = trans-cyclohexane-1, 2-diamine-N, N,N’,N’-tetra-acetate) which acts as pentadentate ligand.
文摘Dimeric complex 〔Cu(SbPh 3) 2I〕 2 has been synthesized by a solid state reaction at a low heating temperature and its crystal structure has been analyzed by X ray crystallography. The crystal is monoclinic, space group P2 1/a (#14), a = 20 436(5), b=14.125(3), c=24.683(3) , β=110.67(1)°, Z=4, V =6666(2) 3; C 72 H 60 Sb 4I 2Cu 2, M r = 1792, D c = 1.787 g·cm -3 , μ (Mo Kα ) = 31.88 cm -1 , F(000)=3440, R= 0.038 and R w= 0.043 for 5632 observed reflections ( I≥3.0σ(I) ) and 361 refined parameters. The result reveals the copper and the bridging iodide atoms form an approximately planar rhomboid array. Effects of the bulkiness of the ligands upon the structures of the analogous complexes are discussed.\;
文摘The title compound,C10H56Cl10Cu4N4O5,Mr=1041.40,has been prepared by reaction of CuCl and choline chloride in CH3CN.It crystallizes in the monoclinic system,space group C2/c with a= 22.55 (1),b=10.442(2),c=18.742(3),β=113.40(3)°,V=4050(3)3,Z=4,λ(MoKα)=0.71069,F(000)=2120,Dc=1.71 g/cm3 and μ(MoKα)=27.81 cm-1.The structure was solved by direct methods and refined by full-matrix least squares to final R and Rω values:0.070 and 0.076,respectively.The tetranuclear anion contains a central oxide ion coordinated tetrahedrally to four copper(Ⅱ) ions;the copper(Ⅱ) ions are bridged in pairs by six chloride ions.The remaining four chloride ions completed a trigonal-bipyramidal coordination sphere around each copper(Ⅱ) ion.There are two crystallographically independent and virtually identical cations in each asymmetrical unit.
基金the National Natural Science Foundation of China(21521061,51672271,21671190)。
文摘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_(3)CN)_(4)BF_(4),PCNP and mepypz in CH_(2)Cl_(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)A,β=96.686(4)°,V=4460.6(3)A^(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 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 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.
