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Synthesis, Crystal Structure and Quantum Chemistry Calculation of a Bis(dafone) Di(dmf) Copper(Ⅱ) Complex
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作者 任永刚 陈之荣 +3 位作者 李浩宏 赵斌 黄长沧 李俊篯 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2005年第5期568-572,492,共6页
The title compound [Cu(dafone)2(DMF)2]?2ClO4 1 (dafone = 4,5-diazafluoren- 9-one, dmf = N,N?-dimethyl formamide) was synthesized by the reaction of Cu(ClO4 )2 and dafone in DMF solution at room temperature with pH = 3... The title compound [Cu(dafone)2(DMF)2]?2ClO4 1 (dafone = 4,5-diazafluoren- 9-one, dmf = N,N?-dimethyl formamide) was synthesized by the reaction of Cu(ClO4 )2 and dafone in DMF solution at room temperature with pH = 3.0. The single-crystal X-ray analysis has revealed that 1 crystallizes in monoclinic, space group P21/n with a = 8.4853(8), b = 13.1520 (14), c = 14.3866(12) ?, β = 102.629(3)o, V = 1566.7(3) ?3, C28H26Cl2CuN6O12, Mr = 773.00, Z = 2, Dc = 1.639 g/cm3 , F(000) = 790, μ = 0.942 mm-1, the final R = 0.0438 and wR = 0.1214 for 3165 obser- ved reflections with I > 2σ(I). X-ray analysis shows that compound 1 has unsymmetric chelation of dafone with one Cu–N bond being much longer than the other. Coordination geometry of Cu is a highly distorted octahedron and the whole structure is stabilized by π-π stacking and static attractive forces from [ClO4]- anions. Based on the crystal data, quantum chemistry calculation at the DFT/ B3LPY level was used to reveal the electronic structure of 1. 展开更多
关键词 Cu(II) complexes dafone unsymmetric chelation quantum calculation
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Rational design and fabrication of S-scheme NiTiO_(3)/CdS heterostructures for photocatalytic CO_(2) reduction 被引量:1
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作者 Junjian Cai Xinyu Li +5 位作者 Bo Su Binbin Guo Xiahui Lin Wandong Xing Xue Feng Lu Sibo Wang 《Journal of Materials Science & Technology》 2025年第31期82-89,共8页
Presented herein are the delicate design and synthesis of S-scheme NiTiO_(3)/CdS heterostructures composed of CdS nanoparticles anchored on the surface of NiTiO_(3) nanorods for photocatalytic CO_(2) reduction.Systema... Presented herein are the delicate design and synthesis of S-scheme NiTiO_(3)/CdS heterostructures composed of CdS nanoparticles anchored on the surface of NiTiO_(3) nanorods for photocatalytic CO_(2) reduction.Systematic physicochemical studies demonstrate that NiTiO_(3)/CdS hybrid empowers superior light absorption and enhanced CO_(2) capture and activation.Electron spin resonance validates that the charge carriers in NiTiO_(3)/CdS follow a S-scheme transfer pathway,which powerfully impedes their recombination and promotes their separation.Importantly,the photogenerated holes on CdS are effectively consumed at the hero-interface by the electron from NiTiO_(3),preventing the photo-corrosion of the metal sulfide.As a result,with Co(bpy)_(3)^(2+)as a cocatalyst,NiTiO_(3)/CdS displays a considerable performance for CO_(2) reduction,affording a high CO yield rate of 20.8µmol h^(−1).Moreover,the photocatalyst also manifests substantial stability and good reusability for repeated CO_(2) reaction cycles in the created tandem photochemical system.In addition,the possible CO_(2) photoreduction mechanism is constructed on the basis of the intermediates monitored by in-situ diffuse reflectance infrared Fourier transform spectroscopy. 展开更多
关键词 Photocatalysis S-scheme CO_(2)reduction HETEROJUNCTION NiTiO_(3)
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Regulating pore structure and pseudo-graphitic phase of hard carbon anode towards enhanced sodium storage performance 被引量:1
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作者 Guang Zeng Yue Zeng +5 位作者 Huamin Hu Yaqing Bai Fangjie Nie Junfei Duan Zhaoyong Chen Qi-Long Zhu 《Chinese Chemical Letters》 2025年第7期560-567,共8页
The pore structure and pseudo-graphitic phase(domain size and content)of a hard carbon anode play key roles in improving the plateau capacity of sodium-ion batteries(SIBs),while it is hard to regulate them effectively... The pore structure and pseudo-graphitic phase(domain size and content)of a hard carbon anode play key roles in improving the plateau capacity of sodium-ion batteries(SIBs),while it is hard to regulate them effectively and simultaneously.This study delves into the synthesis of hard carbons with tailored microstructures from esterified sodium carboxymethyl cellulose(CMC-Na).The hard carbon(EHC-500)with maximized pseudo-graphitic content(73%)and abundant uniformly dispersed closed pores was fabricated,which provides sufficient active sites for sodium ion intercalation and pore filling.Furthermore,minimized lateral width(L_(a))of pseudo-graphitic domains in EHC-500 is simultaneously realized to improve the accessibility of sodium ions to the intercalation sites and filling sites.Therefore,the optimized microstructure of EHC-500 contributes to a remarkable reversible capacity of 340 mAh/g with a high plateau capacity of 236.7 mAh/g(below 0.08 V).These findings underscore the pivotal role of microcrystalline structure and pore structure in the electrochemical performance of hard carbons and provide a novel route to guide the design of hard carbons with optimal microstructures towards enhanced sodium storage performance. 展开更多
关键词 Hard carbons Plateau capacity ESTERIFICATION Microstructure regulation Sodium-ion batteries
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Periodic Janus structure based on ionic covalent organic framework for selective removal of perfluoroalkyl substances
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作者 Xiaojuan Sun Ke Kong +3 位作者 Jun Liang Dan Wang Beibei Dong Ruihu Wang 《Chinese Journal of Structural Chemistry》 2025年第9期14-19,共6页
Per-and polyfluoroalkyl substances(PFAS)are persistent environmental contaminants that often show an adverse impact on human health.Rational design of porous adsorbents for selective and reversible removal of PFAS,suc... Per-and polyfluoroalkyl substances(PFAS)are persistent environmental contaminants that often show an adverse impact on human health.Rational design of porous adsorbents for selective and reversible removal of PFAS,such as perfluorooctane sulfonate(PFOS),is imperative and challenging.Herein,a Janus strategy based on an ionic covalent organic framework(iCOF-DGCl)composed of the alternately hydrophobic aromatic domains and hydrophilic guanidinium moieites has been proposed to meet the requirement of high-performance adsorbents.iCOF-DGCl shows fast adsorption kinetics(970.9 mg g^(−1)min^(−1))and ultrahigh uptake capacity(2491 mg g^(−1))toward PFOS,making it one of the most effective materials among the reported PFOS adsorbents.Moreover,the PFOS removal by iCOF-DGCl remains highly selective in the presence of disturbing anions,and the adsorbent could be well recovered for reuse.Mechanism studies have demonstrated that the Janus structure units of iCOF-DGCl form both hydrophobic and electrostatic interactions with the amphiphilic PFOS,thus achieving cooperative adsorption of PFOS.This work provides a facile approach based on Janus structure of COFs adsorbent for wastewater remediation. 展开更多
关键词 Covalent organic framework Ionic polymer Perfluorooctane sulfonate Adsorption ADSORBENT
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Unique heterostructures of ZnCdS nanoplates with Bi_(2)S_(3)-terminated edges for optimal CO_(2)-to-CO photoconversion
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作者 Zhiwei Zou Huiying Zhang +5 位作者 Jingyu Lan Jiahui Luo Yichao Xie Yafeng Li Jian Lü Rong Cao 《Nano Materials Science》 2025年第6期810-817,共8页
Photocatalytic conversion of chemical fuels has emerged as a most challenging subject in photocatalysis which is considered as one of the sustainable solutions for environmental issues related to the energy shortage a... Photocatalytic conversion of chemical fuels has emerged as a most challenging subject in photocatalysis which is considered as one of the sustainable solutions for environmental issues related to the energy shortage and anthropogenic carbon emissions.Herein,unique heterostructures of ZnCdS nanoplates with Bi_(2)S_(3)-terminated edges were prepared through a facile cation exchange pathway,by which the controlled photocatalytic CO_(2)conversion was achieved.The optimized BZCS–NS-5 photocatalyst exhibited an excellent capacity of CO_(2)photoreduction with a CO production rate of ca.513.2-5.1μmol g^(-1)h^(-1)and a selectivity of ca.91.0%,which were among the highest activities for sulfide photocatalysts documented in the literature.The outstanding photocatalytic performance was attributable to the formation of Z-scheme heterostrucutres between Bi_(2)S_(3)and ZnCdS,in a way the separation and migration of photocarriers were accelerated.This work thus provides a feasible strategy for the construction of heterostructures to enhance the activity and selectivity of CO_(2)-to-CO conversion via delicate design and controlled synthesis of photocatalysts. 展开更多
关键词 HETEROSTRUCTURE Semiconductor Photocatalysis CO_(2)reduction
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Water-Assisted Growth of Bi_(2)Te_(3)-Sb_(2)Te_(3)Lateral Heterostructures for Enhanced Second Harmonic Generation
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作者 Xinfeng Wang Han Wang +3 位作者 Yiran Wu Yulong Lian Jinyang Liu Sangen Zhao 《Chinese Journal of Chemical Physics》 2025年第2期240-248,I0035-I0038,I0041,共14页
The heterostructures incorporated with two or more distinctive two-dimensional(2D)materials have attracted great attention be-cause they could give rise to enhanced prop-erty in comparison with their individual counte... The heterostructures incorporated with two or more distinctive two-dimensional(2D)materials have attracted great attention be-cause they could give rise to enhanced prop-erty in comparison with their individual counterparts.Here,a water-assisted two-step rapid physical vapor deposition(rPVD)method was explored and used to synthesize Bi_(2)Te_(3)-Sb_(2)Te_(3)lateral het-erostructures(LHS)successfully.The Bi_(2)Te_(3)-Sb_(2)Te_(3)LHS is in nearly uniform size,and grows along three particular orientations with the intersection angles of 120°.Inter-estingly,we found that the water molecules play a significant role in determining the growth orientation,namely whether it will grow along the vertical or lateral direction in 2D structure.Hence,a growth mechanism of LHS based on the water-assisted two-step rPVD was present,which can be used as a general strategy and extended to the growth of other 2D heterostruc-tures or homostructures,such as SnS-SnSe LHS and SnS-SnS lateral homostructures.Fur-thermore,the second-harmonic generation intensity of the Bi_(2)Te_(3)-Sb_(2)Te_(3)LHS is much stronger than that of the Bi_(2)Te_(3)/Sb_(2)Te_(3)vertical heterostructures(VHS).This work opens a new approach for the synthesis of water-assisted lateral 2D heterostructures or homostruc-tures and offers a new method to enhance the second-harmonic generation properties of topo-logical insulating materials. 展开更多
关键词 Water-assisted growth Lateral heterostructure Topological insulator Second harmonic generation
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Two Novel Homochiral Enantiomorphic 3D Metal-organic Frameworks:Synthesis,Crystal Structure,Luminescent and SHG Properties 被引量:8
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作者 刘月成 林平 杜少武 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2013年第10期1509-1516,共8页
Two homochiral enantiomorphic 3D coordination polymers: (D-HAPA)2[Cd2Cs(D- HAPA)(m-BDC)4]'(EtOH) (1D) and (L-HAPA)2[Cd2Cs(L-HAPA)(m-BDC)a]'(EtOH) (1L) (APA = 2-amino-l-propanol, m-H2BDC = 1,3-b... Two homochiral enantiomorphic 3D coordination polymers: (D-HAPA)2[Cd2Cs(D- HAPA)(m-BDC)4]'(EtOH) (1D) and (L-HAPA)2[Cd2Cs(L-HAPA)(m-BDC)a]'(EtOH) (1L) (APA = 2-amino-l-propanol, m-H2BDC = 1,3-benzenedicarboxylate), have been assembled solvothermally respectively with the induction of enantiomorphic organic small molecules (D,L-APA). 1L and 1I) crystallize in chiral space group P21 with Flack parameters of-0.012(13) and -0.07(3), respectively, and have been characterized by satisfactory elemental analysis, FT-IR spectra, CD-spectra and single-crystal X-ray diffraction. They both exhibit sqp topological net, purple fluorescence and SHG activity. 展开更多
关键词 HOMOCHIRAL ENANTIOMER solvothermal synthesis supramolecular structure PHOTOLUMINESCENCE SHG activity
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Hydrothermal Synthesis and Crystal Structure of a Square Grid Coordination Copper(II) Polymer from 1,4-Bis(imidazole-1-ylmethyl)benzene 被引量:7
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作者 李涛 胡胜民 +1 位作者 李志华 杜少武 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2006年第1期85-89,共5页
The title compound [Cu(bix)2(NO3)z·H2P]n 1 (bix = 1,4-bis(imidazole-1-ylme-thyl) benzene) has been synthesized by hydrothermal method. Its crystal structure is of monoclinic, space group P1^- with a = 8.3... The title compound [Cu(bix)2(NO3)z·H2P]n 1 (bix = 1,4-bis(imidazole-1-ylme-thyl) benzene) has been synthesized by hydrothermal method. Its crystal structure is of monoclinic, space group P1^- with a = 8.3075(13), b = 9.4725(13), c = 10.0192(13) A, α = 91.088(4), β = 104.063(6), γ = 101.88(1), V = 746.5(3) A^3, Z = 1, C28H30N10O7Cu1, Mr = 682.16, Dc = 1.518 g/cm^3, μ = 0.796 mm^-1, F(000) = 353, the final R = 0.0535 and wR = 0.0996 for 2921 observed reflections with I 〉 2σ(I). Each bix ligand binds two Cu(Ⅱ) ions to form a 2-D(4,4) square grid layer, which is connected by hydrogen bonds showing large channels occupied by solvated water molecules and nitrate anions. 展开更多
关键词 hydrothermal method copper(Ⅱ) square grid crystal structure
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Synthesis, Structure and Magnetic Properties of a Linear Trinuclear Mn(II) Complex with a Multifunctional Group Ligand 被引量:6
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作者 周荣位 李娜 +2 位作者 马成丙 王梅 陈昌能 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2010年第11期1626-1631,共6页
By use of a new ligand containing both salicylic acid moiety and salicylaldehyde Schiff base moiety, 5-(2-hydroxybenzylideneamino)-2-hydroxybenzoic acid (H3L), a linear trinuclear Mn(II) complex was prepared. Th... By use of a new ligand containing both salicylic acid moiety and salicylaldehyde Schiff base moiety, 5-(2-hydroxybenzylideneamino)-2-hydroxybenzoic acid (H3L), a linear trinuclear Mn(II) complex was prepared. This complex crystallizes in triclinic, space group P1 with a = 12.0196(7), b = 13.7440(13), c = 15.7554(14) , α = 111.529(3), β = 96.691(2), γ = 94.802(2)o, C96H100Mn3N6O32, Mr = 2014.64, V = 2382.0(3) 3, Z = 1, μ = 0.478, Dc = 1.404 g/cm3, F(000) = 1049, R = 0.0554 and wR = 0.1610 for 8973 observed reflections (I 〉 2σ(I)). The complex consists of a trinuclear cluster and two solvate ethanol molecules. Three linearly disposed Mn atoms, with an inversion center on the central one, are bridged by six carboxylate groups from six bulky mono-anionic ligands (H2L-), and the octahedral coordination spheres for each of the metal centers are thus formed, with the aid of additional ligation of two small molecules (ethanol and water) to both ends. The magnetic properties of the title complex are also included in this paper. 展开更多
关键词 manganese compound SYNTHESIS crystal structure magnetic properties
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A Series of Mononuclear Complexes Constructed from Transition Metals and Amino Acid Derived Ligands: Syntheses, Structures and Photoluminescence 被引量:6
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作者 李新发 曹荣 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2009年第11期1439-1447,共9页
Eight neutral mononuclear complexes constructed from transition metals (M = Co(Ⅱ), Ni(Ⅱ), Cu(Ⅱ), Zn(Ⅱ), Cd(Ⅱ)) and ligands N-(2-pyridylmethyl)-L-phenylalanine (L-Hpmpa) and N-(2-pyridylmethyl)-L... Eight neutral mononuclear complexes constructed from transition metals (M = Co(Ⅱ), Ni(Ⅱ), Cu(Ⅱ), Zn(Ⅱ), Cd(Ⅱ)) and ligands N-(2-pyridylmethyl)-L-phenylalanine (L-Hpmpa) and N-(2-pyridylmethyl)-L-tyrosine (L-Hpmtyr) have been synthesized by both hydrothermal and conventional room temperature reactions. Four of them have been structurally characterized by single-crystal X-ray diffractions. They are: [Co(L-pmpa)2·2H2O] 1, [Ni(L-pmpa)2·2H2O] 2, [Cu(L-pmpa)2·2H2O] 3 and [Cu(L-pmtyr)2·2H2O] 4. Single-crystal X-ray analysis, IR and elemental analysis revealed that complexes 1, 2 and 3 are isostructural. Powder X-ray diffraction, IR and elemental analysis revealed that complexes 4, 5 (Zn[L-pmtyr]2·2H2O), 6 (Cd[L-pmtyr]2·2H2O), 7 (Co[L-pmtyr]2·2H2O) and 8 (Ni[L-pmtyr]2·2H2O) are isostructural. The photoluminescence properties of L-Hpmtyr ligand, compounds 5 and 6 were also investigated. 展开更多
关键词 amino acid zinc complex cadmium complex PHOTOLUMINESCENCE
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[N-ethyl-4,4'-bipyridinium][ZnX_4](X = Cl or Br) with N-ethyl-4,4'-bipyridinium Generated In Situ:Syntheses, Structures, Fluorescence and TDDFT Calculations 被引量:7
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作者 陈文通 胡荣华 +3 位作者 罗志刚 陈华龙 张娴 刘娟 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2014年第8期1141-1146,共6页
Two new zinc bipyridinium compounds, [N-ethyl-4,4"-bipyridinium][ZnX4] (X = CI (1) or Br (2)) with N-ethyl-4,4"-bipyridinium generated in situ, have been synthesized through solvothermal reactions and structur... Two new zinc bipyridinium compounds, [N-ethyl-4,4"-bipyridinium][ZnX4] (X = CI (1) or Br (2)) with N-ethyl-4,4"-bipyridinium generated in situ, have been synthesized through solvothermal reactions and structurally characterized by single-crystal X-ray diffraction analyses. Both compounds are isostructural and crystallize in the P2/c space group of monoclinic system. Compound 1: a = 8.4397(5), b = 21.988(1), c = 8.8777(5) А, β = 106.490(1)°, V = 1579.7(2) A3, C2H15C14N2Zn, Mr = 394.43, Z = 4, Dc = 1.658 g/cm3, S = 1.068,/a(MoKa) = 2.218 mm-1, F(000) = 796, R = 0.0295 and wR = 0.0766. Compound 2: a = 8.4154(6), b = 22.844(2), c = 9.0308(7) A, fl = 106.026(1)°, V = 1668.6(2) A3, Cj/HjsBraN2Zn, Mr = 572.27, Z = 4, Dc = 2.278 g/cm3, S = 1.033, /l(MoKa) = 11.038 mm"1, F(000) = 1084, R = 0.0427 and wR = 0.1175. Both of them are characteristic of an isolated structure with the zinc atoms locating at a tetrahedral environment. In both compounds, the N-ethyl-4,4"-bipyridinium2+ cations and ZnX42- anions interconnect together via hydrogen bonding interactions to construct a three-dimensional (3-D) supramolecular framework. Fluorescent studies reveal that both compounds exhibit a strong emission in the green region. In combination with the theoretical calculations, we can draw a conclusion that the emissions should result from ligand-to- ligand charge-transfer (LLCT) transition. 展开更多
关键词 FLUORESCENCE LLCT solvothermal TDDFT zinc
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Synthesis,Structure and Properties of a Novel Infinite Triple Helices Coordination Polymer{[Co(4,4'-bipyridine)(4,4'azobispyridine)_(2)(NCS)_(2)]·H_(2)O}_(n) 被引量:5
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作者 LI Bao—Long LI Bao—Zong +1 位作者 XU Zhenga CHEN Jiu—Tong 《无机化学学报》 SCIE CAS CSCD 北大核心 2003年第7期745-749,共5页
The novel complex{[Co(bipy)(azpy)_(2)(NCS)_(2)]·H_(2)O}n(where bipy=4,4′bipyridine,azpy=4,4′azobisp yridine)has been synthesized and characterized by elemental analyses,IR,UV,thermal analyses,and variable tempe... The novel complex{[Co(bipy)(azpy)_(2)(NCS)_(2)]·H_(2)O}n(where bipy=4,4′bipyridine,azpy=4,4′azobisp yridine)has been synthesized and characterized by elemental analyses,IR,UV,thermal analyses,and variable temperature magnetic susceptibility.The crystal(C_(32)H_(26)CoN_(12)OS_(2),Mr=717.70)belongs to the orthorhombic,space group Pnna,a=2.21312(16)nm,b=1.40403(10)nm,c=1.14237(8)nm,V=3.5497(4)nm^(3),Z=4,Dc=1.343g·cm^(-3),μ=0.645mm^(-1),F(000)=1476,and final R_(1)=0.0691,wR_(2)=0.1129 for 231 parameters and 1674 observed reflections[I>2.00σ(I)].The Co(Ⅱ)atom is,in a distorted octahedral geometry,coordinated by six nitrogen atoms from two bridging bipy,two monodentate azpy,and two thiocyanate groups.The bridging ligand bipy links Co(Ⅱ)atoms to form the infinite“rod"with terminal coordination azpy ligand acting as sidearms.Unprecedented three parallel interpenetrating two dimensional(4,4)networks and novel infinite triple helices are formed via hydrogen bonding interactions.CCDC:155588. 展开更多
关键词 crystal structure triple helices cobalt complex BIPYRIDINE hydrogen bonding
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Assembling of a novel 3D Ag(Ⅰ)-MOFs with mixed ligands tactics:Syntheses, crystal structure and catalytic degradation of nitrophenol 被引量:7
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作者 Dandan Huang Xueqian Wua +3 位作者 Junwu Tian Xiaokun Wang Zhihang Zhou Dongsheng Li 《Chinese Chemical Letters》 SCIE CAS CSCD 2018年第6期845-848,共4页
A silver-based metal-organic framework(Ag-MOFs), [Ag2(H3 ddcba)(dpp)2](1)(H5 ddcba = 3,5-(di(2’,5’-dicarboxylphenyl)benozoic acid, dpp = 1,3-di(4-pyridyl)propane), was successfully constructed via hyd... A silver-based metal-organic framework(Ag-MOFs), [Ag2(H3 ddcba)(dpp)2](1)(H5 ddcba = 3,5-(di(2’,5’-dicarboxylphenyl)benozoic acid, dpp = 1,3-di(4-pyridyl)propane), was successfully constructed via hydrothermal assembly of a pentacaboxylate ligand, a N-donor ligand and Ag(I) ions, which possesses a pcu topology and exhibits excellent catalytic properties in aqueous solution for the degradation of onitrophenol(2-NP), m-nitrophenol(3-NP) and p-nitrophenol(4-NP). Related kinetics of such catalytic reactions, photoluminescent and thermal stability of compound 1 were also investigated. 展开更多
关键词 Ag(Ⅰ) metal organic framework Mixed ligands tactics Crystal structure NITROPHENOL Catalytic properties
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Synthesis,Crystal Structure and Properties of a Nanotubular Metal-organic Framework(MOFs) Based on Cu(Ⅱ) Oxide Chains and Benzenedicarboxylates 被引量:5
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作者 许文涛 陈莲 +1 位作者 江飞龙 洪茂椿 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2012年第3期321-326,共6页
A new cooper benzenedicarboxylate metal-organic coordination polymer,[Cu(μH2O)(BDC)]n·nDMF(1,H2BDC = 1,4-benzenedicarboxylate acid,DMF = N,N'-dimethylfor-mamide),has been successfully synthesized under hy... A new cooper benzenedicarboxylate metal-organic coordination polymer,[Cu(μH2O)(BDC)]n·nDMF(1,H2BDC = 1,4-benzenedicarboxylate acid,DMF = N,N'-dimethylfor-mamide),has been successfully synthesized under hydrothermal conditions and characterized by IR spectroscopy,elemental analysis,thermogravimetric analysis and single-crystal X-ray diffraction.This complex crystallizes in triclinic,space group P1 with a = 6.605,b = 10.44780(10),c = 11.0881(6) ,α = 62.064(11),β = 73.410(15),γ = 78.404(16)°,C11H13CuNO6,Mr = 318.76,V = 645.79(8) 3,Z = 2,Dc = 1.639 g/cm3,F(000) = 326,μ = 1.712 mm-1,the final R = 0.0362 and wR = 0.1330 for 2055 observed reflections with I 〉 2σ(I).The title compound contains infinite inorganic chains constructed by Cu oxygen octahedra by sharing corners and edges.Each chain is connected by BDC linkers to four other chains to form a three-dimensional framework with irregular rhombic channels where the DMF molecules are encapsulated. 展开更多
关键词 crystal structure Cu(Ⅱ) complex benzenedicarboxylate nanotubule MOFS
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1D Lanthanide Coordination Polymers Based on 3-(Pyridin-4-yl)benzoic Acid: Syntheses, Structures and Luminescent Properties 被引量:4
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作者 肖雪英 韦永勤 +1 位作者 郑文旭 吴克深 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2011年第11期1543-1550,共8页
ABSTRACT Four novel 1D lanthanide coordination polymers with formula [Ln(3,4-pybz)3(HzO)2. H2O]n (Ln = 1 Sm; 2 Eu; 3 Tb; 4 Dy, 3,4-Hpybz = 3-(pyridin-4-yl)benzoic acid) have been synthesized by hydrothermal re... ABSTRACT Four novel 1D lanthanide coordination polymers with formula [Ln(3,4-pybz)3(HzO)2. H2O]n (Ln = 1 Sm; 2 Eu; 3 Tb; 4 Dy, 3,4-Hpybz = 3-(pyridin-4-yl)benzoic acid) have been synthesized by hydrothermal reactions of lanthanide oxide and 3-(pyridine-4-yl) benzoic acid. Single-crystal X-ray diffraction shows that the four compounds are isostructural. They all crystallize in a monoelinic system, space group P1^-. They have a doubly carboxylate-bridged infinite-chain structure with alternating Ln-(carboxylate)2-Ln linkages and one chelating carboxylate group on each metal center. The Ln ion also combines to two water molecules to form an eight-coordinate square antiprismatic geometry. The pyridine nitrogen atoms of the ligand do not coordinate to the metal centers but direct the formation of a 3D network through hydrogen bonding with coordinated water molecules. The photoluminescent properties of 2 and 3 have been also studied. 展开更多
关键词 lanthanide coordination polymer 3-(pyridine-4-yl) benzoic acid HYDROGEN-BONDING photoluminescence
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Synthesis and Crystal Structure of a New Copper(II) Complex with 4-Cyanobenzoic Acid 被引量:6
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作者 LI Yan WU A-Qing +3 位作者 ZHENG Fa-Kun GUO Guo-Cong LU Can-Zhong HUANG Jin-Shun 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2005年第11期1281-1285,共5页
A new Cu(Ⅱ) complex [Cu(4-cba)(1,10-phen)(H2O)2](NO3) (4-Hcba = 4-cyanobenzoic acid) has been synthesized by solvothermal reaction in an ethanol/water mixed solution at 100 ℃ and structurally characteriz... A new Cu(Ⅱ) complex [Cu(4-cba)(1,10-phen)(H2O)2](NO3) (4-Hcba = 4-cyanobenzoic acid) has been synthesized by solvothermal reaction in an ethanol/water mixed solution at 100 ℃ and structurally characterized by single-crystal X-ray diffraction. Crystallographic data: C20H16CuN4O7, Mr= 487.91, triclinic, space group PI, a = 7.8420(2), b = 9.1070(2), c = 15.1140(6) A, a = 76.889(9), β = 81.332(11), γ = 74.844( 11)°, V = 1009.89(5) A^3, Z = 2, Dc = 1.605 g/cm^3, F(000) = 498, μ = 1.134 mm^-1, the final R = 0.0379 and wR = 0.0865 for 2977 observed reflections with 1 〉 2σ(Ⅰ). The Cu(Ⅱ) atom is coordinated by two terminal water molecules, one chelating 1,10-phen molecule and one monodentate 4-cba ligand to form a slightly distorted square pyramid. The title complex molecules are connected through hydrogen bonds and π-π stacking interactions to generate a 2D layered network. The thermogravimetric analysis of the title complex has also been discussed. 展开更多
关键词 copper(Ⅱ) complex 4-cyanobenzoic acid crystal structure hydrogen bonds π-π stacking
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A New 3-D Lanthanide Porphyrin: Synthesis,Structure and Photophysical Properties 被引量:4
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作者 陈文通 胡荣华 +2 位作者 罗志刚 陈华龙 刘娟 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2015年第2期279-284,共6页
A new lanthanide porphyrin, [Smm(H3TPPSHI)]n-nH20 (1, H6TPPS = tetra(4- sulfonatophenyl)porphyrin), has been synthesized through a hydrothermal reaction and structurally characterized by single-crystal X-ray dif... A new lanthanide porphyrin, [Smm(H3TPPSHI)]n-nH20 (1, H6TPPS = tetra(4- sulfonatophenyl)porphyrin), has been synthesized through a hydrothermal reaction and structurally characterized by single-crystal X-ray diffraction. Compound 1 crystallizes in the P4/mcc space group of tetragonal system: a = 15.3683(12), c = 9.895(2)/k, V = 2337.0(5) A3, C44H29N4OI3SaSm, Mr = 1100.30, Z = 2, Dc = 1.564 g/cm3, S = 1.063,μ(MoKa) = 1.502 mm-1, F(000) = 1102, R = 0.0583 and wR = 0.1666. Compound 1 is characteristic of a three-dimensional (3-D) framework with a slightly distorted square-antiprism eight-coordinated Sm3+ ion. Fluorescent study revealed that compound 1 exhibits an emission in the red region. The fluorescence quantum yield and lifetime of 1 were determined to be 3.5% and 9.1 ns, respectively. UV-vis absorption spectra were also investigated. 展开更多
关键词 FLUORESCENCE HYDROTHERMAL LANTHANIDE PORPHYRIN SAMARIUM
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Synthesis and Structure of a Mn(Ⅱ)-triazolyl Coordination Polymer Consisting of Dinuclear Units 被引量:4
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作者 吴涛 许红岩 +2 位作者 孔凡振 郁章玉 王瑞虎 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2012年第11期1557-1562,共6页
The reaction of bis(1,2,4-triazolyl-4-yl) (btr) and MnClO4-6H20 gave rise to a Mn(II) complex comprised of unprecedented dinuclear Mn(II) units, {[Mn2(btr)s(H20)5]- (ClO4)4(H20)2]n (1). Single-crysta... The reaction of bis(1,2,4-triazolyl-4-yl) (btr) and MnClO4-6H20 gave rise to a Mn(II) complex comprised of unprecedented dinuclear Mn(II) units, {[Mn2(btr)s(H20)5]- (ClO4)4(H20)2]n (1). Single-crystal X-ray diffraction analysis revealed that 1 crystallizes in the monoclinic space group C2/c. btr adopts two types of bridging modes. One serves as μ-N1 :N2 bridge through one triazolyl ring of btr forming a dinuclear Mn(II) unit, and the other adopts an exo-bidentate mode using two nitrogen atoms from each triazolyl ring and links the dinuclear units into a 2D cationic layer. ClO4 acts as a counter anion and does not take part in coordination. Interestingly, 2D layers are packed in an ABCABC mode. ClO4- and uncoordinated water molecules locate between the adjacent layers, and extensive hydrogen bonds further stabilize the whole framework. 展开更多
关键词 crystal structure energetic compounds MANGANESE triazolyl
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Synthesis, Structure and Norbornene Polymerization Catalyzed by Bis{1-[[(3- ethyl-6-methyl-2-pyridinyl)imino]methyl- enyl]-2-naphthalenolato-N,O}nickel( Ⅱ) 被引量:5
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作者 李超 孟素琴 +3 位作者 兰梅英 俞颖华 陈建新 张治纯 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2014年第2期289-293,共5页
The title complex bis{1-[[(3-ethyl-6-methyl-2-pyridinyl)imino]methylenyl]- 2-na- phthalenola-to-N,O}nickel has been synthesized by the reaction of 1-[[(3-ethyl-6-methyl-2- pyridinyl) imino] methylenyl]-2-naphthale... The title complex bis{1-[[(3-ethyl-6-methyl-2-pyridinyl)imino]methylenyl]- 2-na- phthalenola-to-N,O}nickel has been synthesized by the reaction of 1-[[(3-ethyl-6-methyl-2- pyridinyl) imino] methylenyl]-2-naphthalenol with Ni(CH3 COO)2 ·4H2 O, and characterized by IR spectrum and single-crystal X-ray diffraction analysis. The crystal belongs to the orthorhombic system, space group Pbca with a = 11.100(2), b = 15.900(3), c = 18.000(4), V = 3176.8(11)3, C38 H34 N4 NiO2, Mr = 637.40, Z = 4, Dc = 1.333 g/cm3, μ = 0.651 mm-1, F(000) = 1336, the final R = 0.0783 and wR = 0.2119. This title compound was investigated for the catalytic behavior towards norbornene(NB) vinyl addition polymerization. And the complex exhibited good catalytic activity to catalyze norbornene polymerization using MAO as a cocatalyst. 展开更多
关键词 nickel complex catalyst crystal structure norbornene polymerization
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Three New Zn(Ⅱ)/Cd(Ⅱ) Coordination Polymers Constructed with 2-Mercaptonicotinic Acid and 1,2-Di(4-pyridyl)ethylene: Syntheses and Structure Analysis 被引量:4
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作者 杨鑫 傅瑞标 +3 位作者 胡胜民 黄艺辉 盛天录 吴新涛 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2013年第1期23-32,共10页
Three new Zn(Ⅱ)/Cd(Ⅱ) coordination polymers based on 2-mercaptonicotinic acid (H2mna) with 1,2-di(4-pyridyl)ethylene (dpe) introduced as a bridging ligand have been synthesized via hydrothermal method and ... Three new Zn(Ⅱ)/Cd(Ⅱ) coordination polymers based on 2-mercaptonicotinic acid (H2mna) with 1,2-di(4-pyridyl)ethylene (dpe) introduced as a bridging ligand have been synthesized via hydrothermal method and structurally characterized by single-crystal X-ray diffraction as well as elemental analysis and IR. As reported in this paper, [Zn2(dpe)0.5(mna)2] (1) can be classified as a two-dimensional layer structure in which the 1D chain composed of Zn(Ⅱ) and mna ligands is bridged by dpe ligands, while the complex named [Zn4(dpe)4(mna)4] (2) is a tetra-nuclear cluster compound. These two compounds are further extended to three-dimensional structures by hydrogen bonds along with C–H…π and π…π interactions. Compound 3 with general formular [Cd2(dpe)0.5(mna)2]·H2O belongs to a three-dimensional porous structure in which the 2D metal layers formed by the coordination of Cd(Ⅱ) and mna ligands are connected with the bridging of dpe ligands. 展开更多
关键词 2-mercaptonicotinic acid (H2mna) 1 2-di(4-pyridyl)ethylene (dpe) zinc cadmium
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