The title compound ttris-(diisopropyldithiophosphato)tris-μ-disulfidoμ3,-sulfido-cvclo-trimolybdenumj (3Mo-Mo) [diisopropyldithiophosphate], [Mo3S7 (S2P(iprO)2)3] [S2P(iprO)2] (Mr=1365. 39) is an ionic species which...The title compound ttris-(diisopropyldithiophosphato)tris-μ-disulfidoμ3,-sulfido-cvclo-trimolybdenumj (3Mo-Mo) [diisopropyldithiophosphate], [Mo3S7 (S2P(iprO)2)3] [S2P(iprO)2] (Mr=1365. 39) is an ionic species which consists of a discretecluster cation [Mo3S7 (S2P (iprO)2)3] + (ipr = isopropyl) and an anion [S2P (iprO)2]-It was synthesized from the reaction of (NH4)2MoS4 with HS2P (iprO)2. Crystallo-graphic data for its crystal: space group for 7356 independent reflec-'tions with The structure analysis reveals that the cation contains a typical(Mo3 (μ3,-S) (μ-S2)3]+ cluster core in which three molybdenum atoms form an isoscelestriangle;the structure of the free diisopropyldithiophosphate anion [S2P (iprO)2]- isdifferent obviously from the coordinated one.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
X-ray single-crystal structure analysis,UV-Vis,and photoluminescent properties of organic compound,9-(4-(5-(6-methylpyridin-2-yl)-3-phenyl-1H-1,2,4-triazol-1-yl)phenyl)-9H-carbazole(compound 1)were studied.Compound 1 ...X-ray single-crystal structure analysis,UV-Vis,and photoluminescent properties of organic compound,9-(4-(5-(6-methylpyridin-2-yl)-3-phenyl-1H-1,2,4-triazol-1-yl)phenyl)-9H-carbazole(compound 1)were studied.Compound 1 crystallizes in monoclinic system,space group P2(1/c)with a=16.0434(9),b=17.920(1),c=8.3453(5)A,β=94.142(5)°,V=2393.0(2),Z=4,Mr=477.55,Dc=1.326 g/cm^3,F(000)=1000,μ=0.080 mm^–1,GOOF=1.025,the final R=0.0505 and wR=0.1226 for 4921 observed reflections with I>2σ(I).Compound 1 is a donor-acceptor type molecule,in which the carbazolyl group(cz)acts as an electron donor,and the group of 2-(1,3-diphenyl-1H-1,2,4-triazol-5-yl)-6-methylpyridine(MePyTz)as an electron acceptor.In methylene chloride,compound 1 exhibits deep blue luminescence with maximum at 440 nm,lifetime of 4.2 ns under N2 and quantum yield ofф=0.18 at room temperature.The experimental and computational results show that the emission of compound 1 originates from the lowest singlet excited state(S1)with charge transfer character.展开更多
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 CuⅠand mapypz at roo...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 CuⅠand mapypz at room temperature.The compound crystallizes in monoclinic space group P21/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,Mr=1237.92,Dc=1.677 g/cm3,F(000)=1232,μ=11.334 mm^–1,GOOF=1.001,the final R=0.0330,and wR=0.0741 for 4627 observed reflections withⅠ>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 peakλmax=568 nm,lifetimeτ=16μs and quantum yieldф=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.展开更多
文摘The title compound ttris-(diisopropyldithiophosphato)tris-μ-disulfidoμ3,-sulfido-cvclo-trimolybdenumj (3Mo-Mo) [diisopropyldithiophosphate], [Mo3S7 (S2P(iprO)2)3] [S2P(iprO)2] (Mr=1365. 39) is an ionic species which consists of a discretecluster cation [Mo3S7 (S2P (iprO)2)3] + (ipr = isopropyl) and an anion [S2P (iprO)2]-It was synthesized from the reaction of (NH4)2MoS4 with HS2P (iprO)2. Crystallo-graphic data for its crystal: space group for 7356 independent reflec-'tions with The structure analysis reveals that the cation contains a typical(Mo3 (μ3,-S) (μ-S2)3]+ cluster core in which three molybdenum atoms form an isoscelestriangle;the structure of the free diisopropyldithiophosphate anion [S2P (iprO)2]- isdifferent obviously from the coordinated one.
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.
基金the National Natural Science Foundation of China(51672271,21671190)。
文摘X-ray single-crystal structure analysis,UV-Vis,and photoluminescent properties of organic compound,9-(4-(5-(6-methylpyridin-2-yl)-3-phenyl-1H-1,2,4-triazol-1-yl)phenyl)-9H-carbazole(compound 1)were studied.Compound 1 crystallizes in monoclinic system,space group P2(1/c)with a=16.0434(9),b=17.920(1),c=8.3453(5)A,β=94.142(5)°,V=2393.0(2),Z=4,Mr=477.55,Dc=1.326 g/cm^3,F(000)=1000,μ=0.080 mm^–1,GOOF=1.025,the final R=0.0505 and wR=0.1226 for 4921 observed reflections with I>2σ(I).Compound 1 is a donor-acceptor type molecule,in which the carbazolyl group(cz)acts as an electron donor,and the group of 2-(1,3-diphenyl-1H-1,2,4-triazol-5-yl)-6-methylpyridine(MePyTz)as an electron acceptor.In methylene chloride,compound 1 exhibits deep blue luminescence with maximum at 440 nm,lifetime of 4.2 ns under N2 and quantum yield ofф=0.18 at room temperature.The experimental and computational results show that the emission of compound 1 originates from the lowest singlet excited state(S1)with charge transfer character.
文摘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 CuⅠand mapypz at room temperature.The compound crystallizes in monoclinic space group P21/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,Mr=1237.92,Dc=1.677 g/cm3,F(000)=1232,μ=11.334 mm^–1,GOOF=1.001,the final R=0.0330,and wR=0.0741 for 4627 observed reflections withⅠ>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 peakλmax=568 nm,lifetimeτ=16μs and quantum yieldф=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.
