The title compound (C14H12N2O2, Mr = 240.26) crystallizes in the monoclinic system, space group P21/a with a = 7.394(1), b = 21.334(3), c = 7.423(1) ? b = 89.82(1)? V = 1170.8(3) ?, Z = 4, Dc = 1.363 g/cm3, m(MoKa) = ...The title compound (C14H12N2O2, Mr = 240.26) crystallizes in the monoclinic system, space group P21/a with a = 7.394(1), b = 21.334(3), c = 7.423(1) ? b = 89.82(1)? V = 1170.8(3) ?, Z = 4, Dc = 1.363 g/cm3, m(MoKa) = 0.93 cm-1 and F(000) = 504.00. The final R and wR are 0.0440 and 0.1370 for 2153 observed reflections (I > 2s(I)), respectively. The dihedral angle between the two phenyl rings is 52.9 and that between the NO2 group and its attached ring is 3.0. In the crystal, molecules are stacked along [100] through p…p interactions. The CH…O hydrogen bond (3.403 ? 120.4? laterally connects the stacks along [010] to form networks (001) which are further anti- parallelly connected by CH…O (3.382 ? 142.9) and p…p interactions extending along [001]. Also presented here is a brief study on the CH…O hydrogen bonds in nitro-substituted benzyl-ideneanilines which can be classified into five types, namely, )5(12R, )4(21R, )8(22R, )6(12R and )7(22R, with the first three occurring more often.展开更多
The inter-diffusion of N,N-dimethylformamide solution of Zn(phen)2Cl2 and (NH4)2MS4 (M = W, Mo) in an H-shape tube produced crystals of Zn(phen)2WS4 1 and Zn(phen)2MoS4 2 (phen = 1,10-phenanthroline). The structures o...The inter-diffusion of N,N-dimethylformamide solution of Zn(phen)2Cl2 and (NH4)2MS4 (M = W, Mo) in an H-shape tube produced crystals of Zn(phen)2WS4 1 and Zn(phen)2MoS4 2 (phen = 1,10-phenanthroline). The structures of isomorphous complexes 1 and 2 have been determined by X-ray single-crystal structure analyses. Four nitrogen atoms from the phenanthroline ligands and two sulfur atoms from the MS42- anion forming a distorted octahedron coordinate each zinc atom. Through p-p interactions of adjacent aromatic rings of the phenanthroline ligands, a quasi one-dimensional zigzag-stacking column is formed in each complex. Complex 1 crystallizes in monoclinic space group C2/c, with a = 10.447(8), b = 22.016(9), c = 12.824(8) ? b = 103.56(6)? V = 2867.7(8) 3, Z = 4, C24H16N4S4WZn, Mr=737.90, Dc = 1.71 g/cm3, F(000) = 1424, m = 5.25 mm-1, the final R = 0.054 and Rw = 0.075 for 2315 observations with I > 3s (I). Complex 2 crystallizes in monoclinic space group C2/c, with a = 10.410(6), b = 22.095(7), c = 12.830(6) ? b = 103.19(8)? V = 2873.1(5) 3, Z = 4, C24H16MoN4S4Zn, Mr=649.99, Dc = 1.50 g/cm3, F(000) = 1296, m = 1.58 mm-1, the final R = 0.072 and Rw = 0.100 for 1631 observations with I > 3s(I).展开更多
The crystal structure of [Ni(C5H2N2O4)(2, 2?bipy)(H2O)2]?H2O 1 has been determined by X-ray diffraction. Crystal data: triclinic system, space group P with a = 7.9424(3), b = 9.9417(3), c = 12.1867(3) ? a = 84.771(1),...The crystal structure of [Ni(C5H2N2O4)(2, 2?bipy)(H2O)2]?H2O 1 has been determined by X-ray diffraction. Crystal data: triclinic system, space group P with a = 7.9424(3), b = 9.9417(3), c = 12.1867(3) ? a = 84.771(1), b = 77.375(2), g = 68.993(2)? C15H18N4O8Ni, Mr = 440.7, V = 876.16(5) 3, Z = 2, Dc = 1.672 g/cm3, F(000) = 456, m(MoKa) = 1.162 mm-1, the final R = 0.0464 and wR = 0.1055 for 3026 observed reflections with I > 2s(I). In the title compound, the nickel ion is coordinated by a nitrogen atom and an oxygen atom from the orotate ligand, two nitrogen atoms from 2, 2?bipy and two oxygen atoms from the coordinated water molecules in a distorted octahedral geometry. The presence of intermolecular hydrogen bonding and p-p stacking interaction of aromatic rings from 2, 2?bipy results in a 3D structure.展开更多
The fabrication of S-scheme heterojunctions with fast charge transfer and good interface contacts,such as intermolecularπ–πinteractions,is a promising approach to improve photocatalytic performance.A unique two-dim...The fabrication of S-scheme heterojunctions with fast charge transfer and good interface contacts,such as intermolecularπ–πinteractions,is a promising approach to improve photocatalytic performance.A unique two-dimensional/two-dimensional(2D/2D)S-scheme heterojunction containing TpPa-1-COF/g-C_(3)N_(4) nanosheets(denoted as TPCNNS)was developed.The established maximum interfacial interaction between TpPa-1-COF NS and g-C_(3)N_(4) NS may result in aπ–πconjugated heterointerface.Furthermore,the difference in the work functions of TpPa-1-COF and g-C_(3)N_(4) results in a large Fermi level gap,leading to upward/downward band edge bending.The spontaneous interfacial charge transfer from g-C_(3)N_(4) to TpPa-1-COF at theπ–πconjugated interface area results in the presence of a built-in electric field,according to the charge density difference analysis based on density functional theory calculations.Such an enhanced built-in electric field can efficiently drive directional charge migration via the S-scheme mechanism,which enhances charge separation and utilization.Thus,an approximately 2.8 and 5.6 times increase in the photocatalytic hydrogen evolution rate was recorded in TPCNNS-2(1153μmol g^(-1) h^(-1))compared to pristine TpPa-1-COF and g-C_(3)N_(4) NS,respectively,under visible light irradiation.Overall,this work opens new avenues in the fabrication of 2D/2Dπ–πconjugated S-scheme heterojunction photocatalysts with highly efficient hydrogen evolution performance.展开更多
文摘The title compound (C14H12N2O2, Mr = 240.26) crystallizes in the monoclinic system, space group P21/a with a = 7.394(1), b = 21.334(3), c = 7.423(1) ? b = 89.82(1)? V = 1170.8(3) ?, Z = 4, Dc = 1.363 g/cm3, m(MoKa) = 0.93 cm-1 and F(000) = 504.00. The final R and wR are 0.0440 and 0.1370 for 2153 observed reflections (I > 2s(I)), respectively. The dihedral angle between the two phenyl rings is 52.9 and that between the NO2 group and its attached ring is 3.0. In the crystal, molecules are stacked along [100] through p…p interactions. The CH…O hydrogen bond (3.403 ? 120.4? laterally connects the stacks along [010] to form networks (001) which are further anti- parallelly connected by CH…O (3.382 ? 142.9) and p…p interactions extending along [001]. Also presented here is a brief study on the CH…O hydrogen bonds in nitro-substituted benzyl-ideneanilines which can be classified into five types, namely, )5(12R, )4(21R, )8(22R, )6(12R and )7(22R, with the first three occurring more often.
基金grants from the National Natural Science Foundation of China the Natural Science Foundation of Fujian Province and Chinese Academy of Sciences.
文摘The inter-diffusion of N,N-dimethylformamide solution of Zn(phen)2Cl2 and (NH4)2MS4 (M = W, Mo) in an H-shape tube produced crystals of Zn(phen)2WS4 1 and Zn(phen)2MoS4 2 (phen = 1,10-phenanthroline). The structures of isomorphous complexes 1 and 2 have been determined by X-ray single-crystal structure analyses. Four nitrogen atoms from the phenanthroline ligands and two sulfur atoms from the MS42- anion forming a distorted octahedron coordinate each zinc atom. Through p-p interactions of adjacent aromatic rings of the phenanthroline ligands, a quasi one-dimensional zigzag-stacking column is formed in each complex. Complex 1 crystallizes in monoclinic space group C2/c, with a = 10.447(8), b = 22.016(9), c = 12.824(8) ? b = 103.56(6)? V = 2867.7(8) 3, Z = 4, C24H16N4S4WZn, Mr=737.90, Dc = 1.71 g/cm3, F(000) = 1424, m = 5.25 mm-1, the final R = 0.054 and Rw = 0.075 for 2315 observations with I > 3s (I). Complex 2 crystallizes in monoclinic space group C2/c, with a = 10.410(6), b = 22.095(7), c = 12.830(6) ? b = 103.19(8)? V = 2873.1(5) 3, Z = 4, C24H16MoN4S4Zn, Mr=649.99, Dc = 1.50 g/cm3, F(000) = 1296, m = 1.58 mm-1, the final R = 0.072 and Rw = 0.100 for 1631 observations with I > 3s(I).
基金This project was supported by the Natural Science Foundation of China and Chinese Academy of Sciences
文摘The crystal structure of [Ni(C5H2N2O4)(2, 2?bipy)(H2O)2]?H2O 1 has been determined by X-ray diffraction. Crystal data: triclinic system, space group P with a = 7.9424(3), b = 9.9417(3), c = 12.1867(3) ? a = 84.771(1), b = 77.375(2), g = 68.993(2)? C15H18N4O8Ni, Mr = 440.7, V = 876.16(5) 3, Z = 2, Dc = 1.672 g/cm3, F(000) = 456, m(MoKa) = 1.162 mm-1, the final R = 0.0464 and wR = 0.1055 for 3026 observed reflections with I > 2s(I). In the title compound, the nickel ion is coordinated by a nitrogen atom and an oxygen atom from the orotate ligand, two nitrogen atoms from 2, 2?bipy and two oxygen atoms from the coordinated water molecules in a distorted octahedral geometry. The presence of intermolecular hydrogen bonding and p-p stacking interaction of aromatic rings from 2, 2?bipy results in a 3D structure.
文摘The fabrication of S-scheme heterojunctions with fast charge transfer and good interface contacts,such as intermolecularπ–πinteractions,is a promising approach to improve photocatalytic performance.A unique two-dimensional/two-dimensional(2D/2D)S-scheme heterojunction containing TpPa-1-COF/g-C_(3)N_(4) nanosheets(denoted as TPCNNS)was developed.The established maximum interfacial interaction between TpPa-1-COF NS and g-C_(3)N_(4) NS may result in aπ–πconjugated heterointerface.Furthermore,the difference in the work functions of TpPa-1-COF and g-C_(3)N_(4) results in a large Fermi level gap,leading to upward/downward band edge bending.The spontaneous interfacial charge transfer from g-C_(3)N_(4) to TpPa-1-COF at theπ–πconjugated interface area results in the presence of a built-in electric field,according to the charge density difference analysis based on density functional theory calculations.Such an enhanced built-in electric field can efficiently drive directional charge migration via the S-scheme mechanism,which enhances charge separation and utilization.Thus,an approximately 2.8 and 5.6 times increase in the photocatalytic hydrogen evolution rate was recorded in TPCNNS-2(1153μmol g^(-1) h^(-1))compared to pristine TpPa-1-COF and g-C_(3)N_(4) NS,respectively,under visible light irradiation.Overall,this work opens new avenues in the fabrication of 2D/2Dπ–πconjugated S-scheme heterojunction photocatalysts with highly efficient hydrogen evolution performance.