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Alkylation of naphthalene with n-butene catalyzed by liquid coordination complexes and its lubricating properties 被引量:2
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作者 Chen Chen Qiong Tang +4 位作者 Hong Xu Lei Liu Mingxing Tang Xuekuan Li Jinxiang Dong 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2021年第11期306-313,共8页
With the development of coal chemical industry,large amounts of naphthalene and n-butene are produced,and converting them into high value-added products through alkylation has gained particular importance and interest... With the development of coal chemical industry,large amounts of naphthalene and n-butene are produced,and converting them into high value-added products through alkylation has gained particular importance and interest.In this work,liquid coordination complexes(LCCs)were used as acid catalysts for the first time in the naphthalene alkylation reaction under mild conditions to obtain multibutylnaphthalenes with high yield.Various reaction conditions were thoroughly investigated.The LCC consisting of urea and AlCl_(3) showed excellent catalytic performance under optimal reaction conditions,giving 100%conversion of naphthalene and 99.66%selectivity towards multi-butylnaphthalenes.Combining the catalyst properties and catalytic results,a plausible reaction mechanism was proposed.The lubricating properties of the synthesized products were investigated for their potential application as lubricating base oils.The synthesized multi-butylnaphthalenes showed comparable physicochemical properties and tribological performances as the commercial cycloalkyl base oil. 展开更多
关键词 NAPHTHALENE N-BUTENE Alkylation reaction Liquid coordination complexes SYNTHESIS Lubricating base oils
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Crystal Structure and Luminescent Property of a Coordination Complex Constructed with Pyrazine and 1,4-Phenylenediacetic Acid 被引量:1
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作者 徐波 李玲 +1 位作者 李杰 李村成 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2014年第12期1826-1830,共5页
A new coordination complex [Cd(pda)(pyz)(H2O)2]n(1, H2 pda = 1,4-phenylenediacetic acid, pyz = pyrazine) have been synthesized and structurally characterized. Crystal data for the title complex are as follows: orthorh... A new coordination complex [Cd(pda)(pyz)(H2O)2]n(1, H2 pda = 1,4-phenylenediacetic acid, pyz = pyrazine) have been synthesized and structurally characterized. Crystal data for the title complex are as follows: orthorhombic system, space group Ccmb with a = 11.5245(3) b = 19.5069(5) c = 11.4231(3) A, V = 2568.00(12) A3, Mr = 188.31, Z = 16, F(000) = 1480, Dc = 1.948 g/cm3, μ(Mo Kα) = 1.725 mm-1, R = 0.0195 and w R = 0.0462 for 1357 observed reflections with I 】 2σ(I). In the title complex, the central Cd(II) ion is located in a distorted octahedral coordination environment. Two Cd(II) ions are bridged by two pda2- ligands and one pyz ligand to form a bi-loop structure. Luminescent property of the complex has also been studied. 展开更多
关键词 coordination complex crystal structure LUMINESCENCE 1 4-phenylenediacetic acid
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Thermochemical Study on Coordination Complex of Neodymium Trichloroacetic Acid with 8-Hydroxyquinoline
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作者 李强国 屈松生 刘义 《Journal of Rare Earths》 SCIE EI CAS CSCD 2002年第5期443-448,共6页
Two coordinate reactions, NdCl 3·6H 2O(s) +3CCl 3COOH(s)( or TCA) =Nd(TCA) 3·3H 2O(s) +3HCl(g) +3H 2O(l) and Nd(TCA) 3·3H 2O(s) +2C 9H 7NO(s)= Nd(TCA)(C 9H 6NO) 2 (s) +2CCl 3COOH(s) +3H ... Two coordinate reactions, NdCl 3·6H 2O(s) +3CCl 3COOH(s)( or TCA) =Nd(TCA) 3·3H 2O(s) +3HCl(g) +3H 2O(l) and Nd(TCA) 3·3H 2O(s) +2C 9H 7NO(s)= Nd(TCA)(C 9H 6NO) 2 (s) +2CCl 3COOH(s) +3H 2O(l), were studied by the classical solution calorimetry at 298.15K. The molar dissolution enthalpies of the reactants and the products in certain solvent (the first reaction in 1 mol·L -1 HCl, the second in a mixed solution consisting of absolute ethyl alcohol, dimethyl sulfoxide and 4 mol·L -1 HCl ) were measured by using an isoperibol calorimeter at 298.15K . From the results and other auxiliary quantities, the standard molar formation enthalpies of [Nd(TCA) 3·3H 2O,s,298.15K] and [Nd(TCA) (C 9H 6NO) 2 ,s, 298.15K] are determined as Δ fH m °[Nd(TCA) 3·3H 2O,s,298.15K]= -3053.3 kJ·mol -1 and Δ fH m° [Nd(TCA) (C 9H 6NO) 2 ,s, 298.15K] = -1355.6 kJ·mol -1 . 展开更多
关键词 rare earths neodymium chloride six hydrate trichloroacetic acid 8 hydroxyquinoline coordination complex THERMOCHEMISTRY
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Investigations of the electron paramagnetic resonance parameters and the tetragonal local structure for (VCl_6)^(4-) coordination complex in MCl:V^(2+) (M=Na,K,Rb) systems
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作者 祁林 邝小渝 +2 位作者 柴瑞鹏 段美玲 张彩霞 《Chinese Physics B》 SCIE EI CAS CSCD 2009年第4期1586-1593,共8页
By simulating the electron paramagnetic resonance (EPR) and optical spectra on the basis of the 120 × 120 complete energy matrix, this paper determines the local lattice structure parameters R1 and R2 for MCl... By simulating the electron paramagnetic resonance (EPR) and optical spectra on the basis of the 120 × 120 complete energy matrix, this paper determines the local lattice structure parameters R1 and R2 for MCl:V2+ (M=Na, K, Rb) systems at 77K, 195 K and RT (room temperature 295 K or 302 K), respectively. The theoretical results indicate that there exists a compressed distortion in MCl:V2+ systems. Meanwhile, it finds that the structure parameters R1, R2 and |△R|( = R1 - R2) increase with the rising temperature. Subsequently, from the analysis it concludes that the relation of EPR parameter D vs. △R is approximately linear. Finally, the effects of orbital reduction factor k on the g factors for the three systems have been discussed. 展开更多
关键词 complete energy matrix EPR parameters (VCl6)4- coordination complex local structure
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Synthesis and Crystal Structure of Two Coordination Complexes Based on H_(2)dpa and Tmd Ligands
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作者 卓馨 徐基贵 +1 位作者 张莉 刘超 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2010年第11期1743-1748,共6页
Two new transition metal compounds, [Mn(dpa)2(tmd)2]n (1, H2dpa = 4-hydroxy-phenyl-acetic acid, tmd = 4,4-trimethylenedipyridine) and [Co4(dpa)6(tmd)4(H2O)4]n·nH2O·nCl2 (2), have been synthesiz... Two new transition metal compounds, [Mn(dpa)2(tmd)2]n (1, H2dpa = 4-hydroxy-phenyl-acetic acid, tmd = 4,4-trimethylenedipyridine) and [Co4(dpa)6(tmd)4(H2O)4]n·nH2O·nCl2 (2), have been synthesized by hydrothermal synthesis. Compound 1 crystallizes in the monoclinic system, space group P21/n with a = 9.828(3), b = 17.493(5), c = 11.616(4), β = 110.146(6)o, V = 1874.9(10)3, C42H42MnN4O6, Mr = 753.74, Z = 2, Dc = 1.335 g/cm3, μ = 0.406 mm-1, F(000) = 790, the final R = 0.1047 and wR = 0.2021 for 2698 observed reflections (I 〉 2σ(I)). Compound 2 crystallizes in the monoclinic system, space group P21/c with a = 11.7214(13), b = 17.1582(19), c = 24.625(3), β = 103.055(3)o, V = 4824.4(9)3, C100H104Cl2Co4N8O23, Mr = 2094.55, Z = 2, Dc = 1.443 g/cm3, μ = 0.809 mm-1, F(000) = 2180, the final R = 0.0550 and wR = 0.0673 for 4104 observed reflections (I 〉 2σ(I)). These complexes were characterized by elemental analysis, IR spectroscopy, and X-ray single-crystal diffraction. The structural analyses show that the two compounds are both one-dimensional chain structures. However, compounds 1 and 2 form threedimensional supramolecular structures by hydrogen bonds, respectively. 展开更多
关键词 crystal structure coordination complex network structure
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Syntheses,Structures,and Properties of Two Cobalt(Ⅱ)Coordination Complexes Based on(Fluorene-9,9-diyl)dipropanoic Acid and 1,3-Bis(imidazol-1-yl)butane Ligands
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作者 田雨滨 王梦 +4 位作者 张文 宋楠楠 宋新建 胡卫兵 冯驸 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2018年第7期1139-1145,共7页
Two new cobalt(II) coordination complexes, namely [Co(HL)2(biim)(H2O)2]n·n H2O(1) and [Co(Et L)2(biim)]n·3 n(H2O)·2 n(Et HL)(2)(H2L =(fluorene-9,9-diyl)dipropanoic acid, biim = 1,... Two new cobalt(II) coordination complexes, namely [Co(HL)2(biim)(H2O)2]n·n H2O(1) and [Co(Et L)2(biim)]n·3 n(H2O)·2 n(Et HL)(2)(H2L =(fluorene-9,9-diyl)dipropanoic acid, biim = 1,3-bis(imidazol-1-yl)butane), have been synthesized using the same starting reactants but different solvent medium. The two complexes exhibit distinctly different structures. Compound 1 exhibits a one-dimensional linear chain structure. However, complex 2 reveals a one-dimensional zigzag chain structure. Thermogravimetric analyses(TGA) and luminescent properties of these two complexes have been discussed. 展开更多
关键词 coordination complexes FLUORENE luminescent properties
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Synthesis and Crystal Structure of a 1-D Chain Coordination Complex {[Mn_2(HCAM)_3(H_2bipy)]·5H_2O}_n
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作者 孙亚光 荣书婷 +4 位作者 吴勇丽 于菀 王传胜 张万忠 高恩君 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2009年第9期1131-1135,共5页
The 1-D chain coordination complex of {[Mn2(HCAM)3(H2bipy)]·5H2O}n (H3CAM = 4-hydroxypyridine-2,6-dicarboxylic acid, bipy = 4,4'-bipyridine) has been synthesized by the reaction of 4-hydroxypyridine-2,6-di... The 1-D chain coordination complex of {[Mn2(HCAM)3(H2bipy)]·5H2O}n (H3CAM = 4-hydroxypyridine-2,6-dicarboxylic acid, bipy = 4,4'-bipyridine) has been synthesized by the reaction of 4-hydroxypyridine-2,6-dicarboxylic acid, 4,4'-bipyridine and manganese carbonate under hydrothermal conditions, and its crystal structure was determined by X-ray diffraction method The crystal belongs to the monoclinic system, space group P21/n with a = 10.110(2), b = 20.159(4), c = 17.861(4)A,β = 99.67(3)°, V = 3.5884(12) nm3, Mr= 901.47, Z = 4, Dc= 1.669 g.cm^-3, μ= 0.798 mm^-1, F(000) = 1840, the final R = 0.0713 and ωR = 0.1853. The complex forms a 1-D chain bridged by HCAM, protonated 4,4-bipyridines link the 1-D chains to construct 2-D networks via N-H...O hydrogen bonds, and networks are further extended via π-π stacking and hydrogen bonds into 3-D supramolecular framework. 展开更多
关键词 coordination complex Mn(Ⅱ crystal structure
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Synthesis and Characterization of a Novel Coordination Complex Based on Fluorescein
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作者 张冠华 吴小园 +2 位作者 王洒洒 蒋晓瑜 卢灿忠 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2018年第1期113-118,共6页
A novel coordination complex,{[Cd)2(C(20)H(10)O5)2(H2O)4]·10H2O}n,has been synthesized based on fluorescein(2-(6-hydroxy-3-oxo-3 H-xanthen-9-yl) benzoic acid) and systematically characterized by elem... A novel coordination complex,{[Cd)2(C(20)H(10)O5)2(H2O)4]·10H2O}n,has been synthesized based on fluorescein(2-(6-hydroxy-3-oxo-3 H-xanthen-9-yl) benzoic acid) and systematically characterized by elemental analysis,infrared(IR) spectrum,thermo gravimetric analysis(TGA),powder X-ray diffraction(PXRD) and single-crystal X-ray diffraction.Compound 1 crystallizes in monoclinic,space group P2/n with a = 20.428(5),b = 8.084(2),c = 21.689(5)A,β = 96.360(5)°,Mr = 993.46,V = 3559.7(15)A^3,Z = 4,Dx = 1.845 g/cm^3,μ = 1.276 mm^-1,F(000) = 1974,GOOF = 1.044,λ(Mo Kα) = 0.71073 ?,the final R = 0.0553 and wR = 0.1720 for 7245 observed reflections with I 〉 2σ(I). 展开更多
关键词 crystal structure coordination complex fluorescein
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Syntheses and Crystal Structures of Three Coordination Complexes Based on Ln(Ⅲ) and mpca-Ligand
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作者 徐基贵 卢振中 +1 位作者 卓馨 郑和根 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2010年第8期1213-1218,共6页
Three complexes obtained by the reaction of Pr(Ⅲ) or Nd(Ⅲ) salts with 5-methyl-2-pyrazinecarboxylic acid(Hmpca) are structurally determined by single-crystal X-ray diffraction.Complex [Pr(mpca-)3(H2O)2]2&#... Three complexes obtained by the reaction of Pr(Ⅲ) or Nd(Ⅲ) salts with 5-methyl-2-pyrazinecarboxylic acid(Hmpca) are structurally determined by single-crystal X-ray diffraction.Complex [Pr(mpca-)3(H2O)2]2·6H2O(1) is composed of dinuclear Pr(Ⅲ) units with two metal centers bridged by two anionic mpca-ligands in a κ^3O,O':O' bridging mode.Complexes [Pr(mpca-)3]n(2) and [Nd(mpca-)3]n(3) are isostructures,and they consist of polymeric chains based on Ln(Ⅲ) and mpca-ligands.Each pair of adjacent metal centers is linked by three mpca-molecules in a κ^3N,O:O bridging mode. 展开更多
关键词 crystal structure lanthanide complex coordination polymer
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A novel Ga(Ⅲ)coordination complex as an efficient sensitizer for enhancing photocatalytic activity of TiO_(2)/rGO nanocomposite
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作者 Amir Hossein Cheshme Khavar Neda Khedri +4 位作者 Rubén Rizo Juan Miguel Feliu Martínez Ali Reza Mahjoub Masoumeh Doolabi Ehsan Aghayani 《Journal of Rare Earths》 SCIE EI CAS CSCD 2023年第7期1004-1013,I0002,共11页
Narrow solar-light response range and rapid charges recombination are the main technical barriers in TiO_(2) photocatalysis technology.To overcome these restrictions,in this work we synthesized a novel binuclear gadol... Narrow solar-light response range and rapid charges recombination are the main technical barriers in TiO_(2) photocatalysis technology.To overcome these restrictions,in this work we synthesized a novel binuclear gadolinium(Ⅲ) coordination complex,[Gd_(2)(DPDB)_6(DMF)_6(H_(2)O_()2)](DPDB=[(4-dimethylamino)phenyldiazenyl] benzenesulfonate),which was used as an inorganic sensitizer for boosting the visible light-harvesting and quantum efficiency of TiO_(2) supported-reduced graphene oxide(rGO) nanocomposite.Crystal structure of [Gd_(2)(DPDB)_6(DMF)_6(H_(2)O)_(2)](Gd-CMP) was determined from single-crystal X-ray diffraction data,which indicates three-dimensional(3D) supramolecular architecture through hydrogen bonding and CH…π_(ph) interactions.The prepared nanohybrid(Gd-CMP/TG) reveals significantly enhanced visible-light-induced photocatalytic activity for degradation of acetaminophen(ACT).The complete removal of 10 mg/L ACT is achieved over Gd-CMP/TG,and the corresponding rate constant of ACT degradation of nanohybrid is 40-fold higher than that of bare TiO_(2).In prepared ternary nanohybrid,metal-coordination sensitizer(Gd-CMP) acts as an electron donor,and at the same time,rGO serves as an electron acceptor,and the synergistic effect between them efficiently enhances charges separation and inhibits e/h pair recombination in the hybridized species.The radical scavenger tests indicate that the photo-induced O_(2)^(-·) radicals dominate ACT degradation.On the basis of the experimental results and calculated energy of electronic levels,a possible mechanism for the improved photocatalytic activity is discussed. 展开更多
关键词 GADOLINIUM coordination complex SENSITIZER PHOTOCATALYTIC LIGHT-HARVESTING Rare earths
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Syntheses,Crystal Structures and Properties of Mn(Ⅱ) and Co(Ⅱ) Coordination Complexes Based on 1,10-Phenanthroline Derivative 被引量:1
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作者 章华 纪刘庆 +3 位作者 宋雨竹 孔治国 李聪 王秀艳 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2021年第3期336-342,273,共8页
Two new coordination complexes[Mn(L)_(2)(DNSA)](1) and[Co(L)(1,4-bdc)]_n (2) have been achieved under hydrothermal conditions (H_(2)DNSA=3,5-dinitro-salicylic acid,1,4-bdc=1,4-benzenedicarboxylic acid and L=2-(2-fluor... Two new coordination complexes[Mn(L)_(2)(DNSA)](1) and[Co(L)(1,4-bdc)]_n (2) have been achieved under hydrothermal conditions (H_(2)DNSA=3,5-dinitro-salicylic acid,1,4-bdc=1,4-benzenedicarboxylic acid and L=2-(2-fluoro-6-fluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline).1 crystallizes in monoclinic,space group P2_1/c with a=15.871(3),b=17.274(4),c=16.078(3)A,β=113.03(3)^(o),V=4056.6(16)A^(3),Z=4,C_(45)H_(22)Cl_(2)F_(2)Mn N_(10)O_(7),M_(r)=978.57,D_(c)=1.602 g/cm^(3),F(000)=1980,μ(Mo Ka)=0.536 mm^(–1),R=0.0437 and w R=0.1065.2 belongs to the monoclinic system,space group C2/c with a=14.665(2),b=30.856(4),c=11.237(2)A,β=111.166(2)^(o),V=4742.0(12)A^(3),Z=8,C_(27)H_(14)Cl Co FN_(4)O_(4),M_r=517.80,D_(c)=1.602 g/cm^(3),F(000)=2312,μ(Mo Ka)=0.889 mm^(–1),R=0.0364 and w R=0.0862.The central Mn(II) ion in 1 is six-coordinated by four nitrogen atoms from two L ligands and two oxygen atoms from one DNSA anion.In 2,the two kinds of 1,4-bdc ligands link neighboring Co(II) atoms to yield a two-dimensional layer structure.The luminescence of 1 has been studied in detail.Moreover,thermal behaviors of 1 and 2 are also investigated. 展开更多
关键词 crystal structure coordination complex 1 10-phenanthroline derivative thermal behavior
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Two New Coordination Complexes Based on 2,2'-H2biimidazole: Synthesis, Structure, Luminescent Property and Theoretical Calculation 被引量:1
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作者 ZHANG Hua XU Tongtong +3 位作者 XING Tianyi WANG Xueying ZUO Jiamei KONG Zhiguo 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2020年第8期1451-1457,1359,共8页
Two new coordination complexes[Cd(L)2(1,2,3-HBTC)]·3H2O(1)and{[Zn(L)(1,2-BDC)]-H2O}n(2)were synthesized under hydrothermal conditions(1,2,3-H3 BTC=1,2,3-tricarboxybenzene,1,2-H2 BDC=1,2-dicarboxybenzene and L=2,2... Two new coordination complexes[Cd(L)2(1,2,3-HBTC)]·3H2O(1)and{[Zn(L)(1,2-BDC)]-H2O}n(2)were synthesized under hydrothermal conditions(1,2,3-H3 BTC=1,2,3-tricarboxybenzene,1,2-H2 BDC=1,2-dicarboxybenzene and L=2,2’-H2 biimidazole).1 crystallizes in monoclinic,space group P21/c with a=12.256(5),b=11.620(5),c=17.479(5)A,β=95.548(5)°,V=2477.6(16)A^3,Z=4,C21H22N8 O9 Cd,Mr=642.86,Dc=1.724 g/cm^3,F(000)=1296,μ(MoKa)=0.950 mm^-1,R=0.0546 and wR=0.1724.2 belongs to the monoclinic system,space group P21/c with a=7.408(4),b=20.743(10),c=10.194(5)A,β=95.648(6)°,V=1477.3(12)A^3,Z=4,C14H12N4 O5 Zn,Mr=381.65,Dc=1.716 g/cm3,F(000)=776,μ(MoKa)=1.698 mm^-1,R=0.0574 and wR=0.1632.The central Cd(Ⅱ)ion in 1 is coordinated with five atoms,forming a slightly distorted square-pyramidal geometry.The central Zn(Ⅱ)ion in 2 is four-coordinated by two nitrogen atoms from one L ligand and two oxygen atoms from two different 1,2-BDC anions.In addition,luminescent property of 1 has been investigated,and natural bond orbital(NBO)analysis of 2 has been calculated by the B3LYP/LANL2DZ method. 展开更多
关键词 STRUCTURE coordination complex 2 2'-H_(2)biimidazole luminescent property
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Hydrothermal syntheses and characterization of three lanthanide coordination complexes constructed by 2,2':6',2''-terpyridine and 2,2'-biphenyldicarboxylic acid 被引量:2
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作者 谢洪珍 张燕广 +1 位作者 龚丹宇 魏丹毅 《Journal of Rare Earths》 SCIE EI CAS CSCD 2012年第3期256-261,共6页
Two 1D coordination polymers [Ln2(dpdc)3(tpy)2·H2O]n [Ln=Nd 1, Yb 2, H2dpdc=2,2'-biphenyldicarboxylic acid and tpy= 2,2':6',2''-terpyridine] and one dinuclear complex Er2(dpdc)2(Hdpdc)2(tpy)2 3 we... Two 1D coordination polymers [Ln2(dpdc)3(tpy)2·H2O]n [Ln=Nd 1, Yb 2, H2dpdc=2,2'-biphenyldicarboxylic acid and tpy= 2,2':6',2''-terpyridine] and one dinuclear complex Er2(dpdc)2(Hdpdc)2(tpy)2 3 were obtained via hydrothermal reactions and determined by X-ray diffraction analysis. The crystal structure data of 1 and 2 revealed that two coordination polymers were isostructural and possessed a 1D chain framework consisting of eight-coordinated Ln(III) centers. In the asymmetric unit, the two Er(III) ions in 3 were both nine-coordinated and had similar coordination environments. The Er(III) ions were bridged by dpdc2-ligands into dinuclear structures. The complexes were also characterized by IR spectra and thermogravimetric analysis. The solid fluorescence of 1 and 3 was also investigated at room temperature. 展开更多
关键词 lanthanide coordination complexes crystal structures fluorescence 2 2'-biphenyldicarboxylic acid rare earths
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Two 2D uranyl coordination complexes showing effective photocatalytic degradation of Rhodamine B and mechanism study
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作者 Xiaolan Tong Shan Wang +7 位作者 Jun Zuo Yingchong Ge Qiang Gao Suijun Liu Jianhua Ding Fen Liu Jianqiang Luo Jianbo Xiong 《Chinese Chemical Letters》 SCIE CAS CSCD 2021年第2期604-608,共5页
Two new hydrostable two-dimensional(2 D) uranyl coordination complexes [(UO_(2))_(5)(μ_(3)-O)_(2)(nbca)_(2)].7 H_(2)O(1) and [(UO_(2))_(3)(nbca)_(2)(H_(2)O)_(3)]·2 H_(2)O(2)(H_(3) nbca=5-nitro-1,2,3-benzenetrica... Two new hydrostable two-dimensional(2 D) uranyl coordination complexes [(UO_(2))_(5)(μ_(3)-O)_(2)(nbca)_(2)].7 H_(2)O(1) and [(UO_(2))_(3)(nbca)_(2)(H_(2)O)_(3)]·2 H_(2)O(2)(H_(3) nbca=5-nitro-1,2,3-benzenetricarboxylic acid) were hydrothermal synthesized.Single-crystal structural refinements reveal that both of the two complexes were formed by the packing of 2D uranyl coordination sheets via the hydrogen bonds.The nbca ligand coordinating to the uranyl polyhedron centers constructed the 2D sheets.There are UO8 hexagonal bipyramids and UO7 pentagonal bipyramids in 1 while only U07 pentagonal bipyramids in 2.Photocatalytic degradation of rhodamine B(RhB) in aqueous solution was studied.Complex 2 possesses better performance than 1 with 96.2 % of the RhB was degraded in only 60 min.Mechanism studies reveal that the dissolved oxygens are essential to the RhB degradation.The photocurrent density of 2 is more stable than that of 1,which indicating the stronger ability to separate photoexcited electrons and hole pairs of 2. 展开更多
关键词 Uranyl-organic frameworks Photocatalytic degradation coordination complexes PHOTOCURRENT MECHANISM
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Fluorescent Recognition of Small Organic Molecules Based on Supramolecular Aggregation/Deaggregation of Planar Cu(Ⅱ)Coordination Complex
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作者 Liang Hao Tong Zhang +1 位作者 Ge Chang Hui Li 《Chinese Journal of Chemistry》 SCIE CAS CSCD 2015年第4期425-430,共6页
A Cu(II)coordination complex(1)with Schiff ligand derived from diaminomaleonitrile was synthesized and characterized,in which the ligand is rigid,planar and conjugated.The complex 1 displays an interesting fluorescent... A Cu(II)coordination complex(1)with Schiff ligand derived from diaminomaleonitrile was synthesized and characterized,in which the ligand is rigid,planar and conjugated.The complex 1 displays an interesting fluorescent property relative to solvents which can be turned-on by CH_(2)Cl_(2) and CHCl_(3) solvent molecules.The mechanism of this selective fluorescence emission has been studied based on the crystal structure and the spectrum analysis.The tuning on and off fluorescence of complex 1 can be controlled by the process of supramolecular aggregation/deag-gregation in different solvents. 展开更多
关键词 fluorescence recognition crystal structure diaminomaleonitrile Cu(Ⅱ)coordination complex supramolecular aggregation/deaggregation
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Managing Coordination Complexity in the Remanufacturing of Aircraft Engines
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作者 Qing Yang Lu Zheng 《Frontiers of Engineering Management》 2016年第2期158-164,共7页
The complexity of communication and coordination stemming from teams responsible for adjusting interdependent parameters of components is a fundamental feature in the aircraft engine remanufacturing engineering projec... The complexity of communication and coordination stemming from teams responsible for adjusting interdependent parameters of components is a fundamental feature in the aircraft engine remanufacturing engineering project. To manage coordination complexity, the features of the remanufacturing process of aircraft engine are analyzed and a systematic method is presented to measure and optimize the dependency between coupled components.Furthermore, quantitative models are built based on Design Structure Matrix(DSM) models to measure dependency strengths related to the parameter features of the components. Also, a two-stage DSM clustering criteria is used to reduce the complexity of an organization. An industrial example is provided to illustrate the proposed models. The results showed that the proposed approach can reduce total coordination complexity. 展开更多
关键词 remanufacturing engineering project aircraft engine coordination complexity organization optimization design structure matrix(DSM)
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A Theoretical Study of Tris-(o-benzoquinonediimine)-First-Row Divalent Transition Metal Complexes
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作者 Mohammad Abdul Matin Samiran Bhattacharjee Anwar Hossain 《Advances in Chemical Engineering and Science》 CAS 2023年第2期172-188,共17页
The ligand o-phenylenediamine (opda) and its oxidized form, o-benzoquinonediimine (bqdi), act as a fascinating candidate coordinating toward transition metal ions leading to the photochemical hydrogen production in ab... The ligand o-phenylenediamine (opda) and its oxidized form, o-benzoquinonediimine (bqdi), act as a fascinating candidate coordinating toward transition metal ions leading to the photochemical hydrogen production in absence of photosensitizers. Herein, we report the systematic study of the interaction between the oxidized form bqdi ligand, tris-(o-benzoquinonediimine) with divalent first-row transition metal series using DFT calculations. The lowest energy structures, bond length, binding energies, frontier molecular orbital analysis, natural bond orbitals, and global reactivity descriptor were calculated using B3LYP/6-311G(d,P) level of theory. The time dependent-DFT at the CAM-B3LYP/6-311+G(d,p) level of theory was applied to determine the electronic structures and the optical spectra. The theoretical binding trend of the divalent first-row transition metal series is decreasing as follows: Cu >Ti > V > Co > Ni > Fe > Cr > Zn >Mn. Among them, the binding potency of iron (II) by the bqdi ligand was not predominantly sturdy as compared to other first-row divalent transition metal ions. The origin of strong coordination with Fe(II) is attributed to its extra capability to induce covalent coordination of bqdi ligands. The complex exhibited two strong peaks at 370 nm and 452 nm, due to the HOMO-3 to LUMO+1 and HOMO-1 to LUMO transitions, respectively. Natural bond orbital analysis showed that the major interaction happens between the N lone pair electrons of the ligand with an anti-bonding orbital of metal ions, in which Ti showed the highest interaction energy than other metal ions. The present systemic DFT study of bqdi ligands with the first-row transition metals strongly encourages the future establishment of photochemical hydrogen production in absence of photosensitizers. 展开更多
关键词 DFT O-PHENYLENEDIAMINE o-benzoquinodiimine First-Row Divalent Transition Metals Time Dependent–DFT coordination complexes
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Synthesis,Crystal Structure and Luminescent Property of a New Indium(Ⅲ)Coordination Polymer 被引量:2
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作者 杨贺 姜阳 +1 位作者 徐波 李村成 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2016年第11期1723-1727,共5页
A new coordination complex [In(pda)1.5(bpy)]n (1, H2pda = 1,4-phenylenediacetic acid, bpy = 2,2'-bipyridine) has been synthesized under hydrothermal conditions and characterized by IR spectrum, elemental analys... A new coordination complex [In(pda)1.5(bpy)]n (1, H2pda = 1,4-phenylenediacetic acid, bpy = 2,2'-bipyridine) has been synthesized under hydrothermal conditions and characterized by IR spectrum, elemental analysis, PXRD and single-crystal X-ray diffraction analysis. Crystal data for the title complex are as follows: monoclinic system, space group P21/n with a = 11.8015(7), b = 15.9551(10), c = 11.8858(8)A^°, β = 94.844(6)°, V = 2230.0(2) A^°3, Mr = 559.25, Z = 4, F(000) = 1124, Dc = 1.666 g/cm^3, μ(MoKα) = 1.106 mm^-1, R = 0.0269 and wR = 0.0569 for 4534 observed reflections with I 〉 2σ(I). Complex 1 displays a 3D supermolecular structure based on the 1D zizag chains. Fluorescence spectrum measurement indicates that complex 1 shows strong fluorescence emission with a maximum peak at 447 nm in the solid state at room temperature. 展开更多
关键词 coordination complex crystal structure LUMINESCENCE INDIUM
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Two Cobalt(II) Complexes Derived from the Hydrolysis Product of Di-Schiff Base Ligand N,N'-Bis-(1-benzimidazo-2-yl-ethylidene)-ethane-1,2-diamine:Preparation,Characterization and Crystal Structure of the 6-Coordinate Species [CoL_2]X·H_2O (X = ClO_4^-, N 被引量:1
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作者 夏昌坤 吴小园 +2 位作者 吴鼎铭 蒋晓瑜 卢灿忠 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2008年第7期805-811,共7页
The reactions of Co(C1O4)2·6H2O and Co(NO3)2.6H2O with the di-Schiff base ligand N,N'-bis-(1-benzimidazo-2-yl-ethylidene)-ethane-1,2-diamine (LA) in ethanol have been investigated. The reactions of LA wi... The reactions of Co(C1O4)2·6H2O and Co(NO3)2.6H2O with the di-Schiff base ligand N,N'-bis-(1-benzimidazo-2-yl-ethylidene)-ethane-1,2-diamine (LA) in ethanol have been investigated. The reactions of LA with excess amount of cobalt salts yield the six-coordinate complexes [CoL2](ClO4)E·H2O 1 and [CoL2](NO3)E·H2O 2 as isolatable products (L= N-(1- benzimidazo-2-yl-ethylidene)-ethane-1,2-diamine), where L is a tri-dentate mono-Schiff base ligand, resulting from the hydrolysis of the precursor di-Schiff base LA. Both complexes were characterized by X-ray crystallography. Crystal data for complex 1: monoclinic, space group P21/c, a = 11.9214(10), b = 23.5828(17), c = 14.0387(12)A, β = 135.219(4)°, C22H30Cl2CoN8O9, Mr = 680.37, V = 2780.1(4) A^3 ,Z = 4, Dc = 1.625 g/cm^3,μ(MoKa) = 0.876 mm^-1, F(000) = 1404, the final R = 0.0725 and wR = 0.1530 for 5726 observed reflections (I 〉 2σ(I)). Crystal data for complex 2: monoclinic, space group P21/c, a = 18.2162(16), b = 10.0610(6), c = 18.593(2)A, β = 130.099(3)°, C22H30CoN10O7, Mr = 605.49, V = 2606.5(4) A3 Z = 4, Dc = 1.543 g/cm^3,μ(MoKa) = 0.722 mm^-1, F(000) = 1260, the final R = 0.0619 and wR = 0.1429 for 5194 observed reflections (I 〉 2σ(I)). X-ray diffraction analysis reveals that each cobalt atom in the two complexes is chelated by six nitrogen atoms from two tridentate iigands L, exhibiting a slightly distorted octahedral coordination sphere. In both complexes, the strong hydrogen-bonding interactions between the lattice waters and N-H groups of the ligands result in 1D chains which are further connected by ClO4^- (or NO3^-) groups to form a 3D framework. In complex 2, the strong π-π interactions increase the stability of the structure. 展开更多
关键词 2-acetylbenzimidazole di-Schiff base ligand crystal structure HYDROLYSIS hydrogen-bonding interactions coordination complex N N -bis-(1-benzimidazo-2-yl-ethylidene)-ethane- 1 2-diamine N-(1-benzimidazo-2-yl-ethylidene)-ethane- 1 2-diamine
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Syntheses,Crystal Structures,DFT Calculation and Optical Properties of a Schiff Base and Its Dinuclear Mercury(Ⅱ)Complex 被引量:7
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作者 金凤 潘成玉 +4 位作者 鲁天琪 高玉龙 孙林 陶栋梁 廖荣宝 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2017年第2期250-257,共8页
A pyridine-contained Schiff base ligand L(L =(pyridine-2-vinyl)hydrazine) has been synthesized and fully characterized. By self-assembly of the ligand with HgI2, a binuclear complex Hg2I4L(C) was obtained. The s... A pyridine-contained Schiff base ligand L(L =(pyridine-2-vinyl)hydrazine) has been synthesized and fully characterized. By self-assembly of the ligand with HgI2, a binuclear complex Hg2I4L(C) was obtained. The structures of L and C were analyzed through single-crystal X-ray diffraction. L crystallizes in monoclinic, space group P21/n with a=11.286(5), b=3.981(5), c=23.865(5) , β=100.043(5)°, V=1056(1) 3, Z=4, Dc=1.323 g/m3, F(000)=440, Μr=210.24, μ=0.084 mm(-1), the final R=0.0928 and w R=0.2867 for 6955 observed reflections with I &gt; 2(I). The complex is of monoclinic system, space group P21/n with a=8.706(5), b=17.468(5), c=14.675(5) , β=93.922(5)°, V=2227(2) 3, Z=4, Dc=3.338 g/m3, F(000)=1928, Μr=1119.02, μ=19.321 mm(-1), the final R=0.0366 and w R=0.1276 for 3920 observed reflections with I &gt; 2(I). The structural analysis revealed that the molecule of L possesses a well planar structure. However, in the complex, the coordinated ligand distorts greatly. The absorption spectra of L and the complex in ethanol were experimentally and theoretically studied. The result indicates that the complex exhibits different absorption spectrum compared with the free ligand. 展开更多
关键词 Schiff complex Syntheses monoclinic pyridine coordinated assembly vinyl hydrazine Mercury
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