A novel complex{[Eu（H;TIA）(C;O;);（H;O）;]·H;O};of Eu（Ⅲ）with aromatic carboxylic triazole(H;TIA=5-（4H-1,2,4-triazol-4-yl）isophthalic acid,H;C;O;=oxalic acid)was hydrothermally synthesized and characterized...A novel complex{[Eu（H;TIA）(C;O;);（H;O）;]·H;O};of Eu（Ⅲ）with aromatic carboxylic triazole(H;TIA=5-（4H-1,2,4-triazol-4-yl）isophthalic acid,H;C;O;=oxalic acid)was hydrothermally synthesized and characterized by IR,UV-Vis,emission spectra and optical activity,and its crystal structure was determined.It crystallizes in triclinic system,space group P1 with a=7.4452（13）,b=10.776（2）,c=11.286（2）?,α=110.546（3）°,β=106.604（3）°,γ=99.031（3）°,V=486.0,GOOF=1.096,the final R=0.0196 and w R=0.0527 for 3081 observed reflections with I≥2σ（I）,R=0.0209 and wR=0.0535 for all data with（Δ/σ）;=0.001,（Δρ）;=0.48 and（Δρ）;=–0.46 e·?;.The natural bond orbital（NBO）charges,electrostatic potential（ESP）and frontier orbital of this complex were also analyzed.The results of anti-bacterial activity against Gram positive（S. aureus）and Gram negative（E. coli）bacteria reveal that the studied complex possesses a moderate inhibiting effect,and the inhibition effect on E.coli is better.展开更多
The crystal and molecular structures of the Na[Eu Ⅲ (edta) ( H2 O) 3] · 4H2O ( edta = ethylenediaminetetraacetic acid) and Na4[Eu2Ⅲ (Httha)2] · 10H2 O ( ttha = triethylenetetraminehexaacetic acid) complexe...The crystal and molecular structures of the Na[Eu Ⅲ (edta) ( H2 O) 3] · 4H2O ( edta = ethylenediaminetetraacetic acid) and Na4[Eu2Ⅲ (Httha)2] · 10H2 O ( ttha = triethylenetetraminehexaacetic acid) complexes were determined by single-crystal X-ray structure analyses.The crystal of Na[ EuⅢ (edta) (H2O)3] · 4H2O belongs to orthorhombic crystal system and Fdd2 space group.The crystal data are as follows: a = 1.9415 (15)nm, b = 3.544(3 )nm, c = 1.203(9)nm, V = 8.327(5)nm3, Z = 16, M = 589.27, Dc= 1.880 g· cm-3, μ= 3.108mm-1 and F(000) = 4704.The final R and wR values are 0.0312 and 0.0750 for 2091[I ＞ 2.0σ (I)] reflections, and 0.0344and 0.0766 for all 3932 unique reflections, respectively.The[EuⅢ (edta) (H2O) 3] - anion has a nine-coordinate pseudo-monocapped square antiprismatic structure in which the nine coordinate atoms, two N and seven O, are from one edta ligand and three water molecules.The crystal of Na4[Eu2Ⅲ (Httha)2] · 10H2O belongs to orthorhombic system and Pccn space group.The crystal data are as follows: a = 2.610(3)nm, b = 2.089(3)nm, c = 2.239(3)nm, V =12.208 ( 28 ) nm3, Z = 8, M = 1548.92, Dc= 1.686g·cm-3,μ = 2.115 mm-1andF(000) = 6272.Thefinal R and wR are 0.0625 and 0.1091 for 9834[I ＞ 2.0σ(I)] reflections, and 0.1608 and 0.1471 for all 37818 unique reflections, respectively.The whole complex molecule is composed of two close parts in which each one has a nine-coordinate structure with distorted monocapped square antiprismatic prism.The ttha ligand in the[Eu2Ⅲ (Httha)2] 4- anion coordinates to one Eu Ⅲ ion with three N atoms and four O atoms and to the other Eu Ⅲ ion with two O atoms.展开更多
Radionuclide migration in aquatic environment is influenced by its sorption onto colloids/mineral oxides and the presence of organic complexing anions.With a view to understand the sorption of trivalent actinides by m...Radionuclide migration in aquatic environment is influenced by its sorption onto colloids/mineral oxides and the presence of organic complexing anions.With a view to understand the sorption of trivalent actinides by mineral oxides in presence of organic acid,in the present study,Eu(Ⅲ),malonic acid(MA)andγ-alumina are considered as representatives of trivalent actinides,low molecular weight natural occurring organic acid and aluminol sites,respectively.The influence of MA on sorption of Eu(Ⅲ)byγ-alumina was elucidated by batch sorption,spectroscopic techniques and surface complexation modeling,for the first time.Attenuated Total Reflection-Fourier Transform Infrared spectroscopic studies of MA sorbed onγ-alumina revealed the presence of two inner-sphere surface complexes.Batch sorption for binary(alumina-Eu(Ⅲ))and ternary(alumina-Eu(Ⅲ)-MA)systems were investigated as a function of p H,Eu(Ⅲ)concentration and sequential addition of Eu(Ⅲ)/MA.The p H edge for Eu(Ⅲ)sorption shifts to higher p H with increasing Eu(Ⅲ)concentration.In ternary systems,Eu(Ⅲ)sorption is significantly enhanced at p H<4.5.Eu(Ⅲ)speciation onγ-alumina is independent of addition sequence of Eu(Ⅲ)/MA.Time resolved fluorescence spectroscopy of Eu(Ⅲ)sorbed onγ-alumina exhibited two surface species,≡XOEu^2+and(≡YO)2 Eu^(+).The enhancement in I 616/I 592 and lifetime for ternary systems,as compared to binary system,at low p H,indicates the participation of Eu-MA complexes in the formation of surface species in ternary systems.The diffuse layer model has been employed to successfully model the experimental sorption profiles of binary and ternary systems,using code FITEQL 4.0,by considering the surface species identified by spectroscopic techniques.展开更多
基金supported by the Natural Science Foundation of Fujian Province(No.2015J01597,2016J05032)Professor Found of Fujian Medical University(JS14008)
文摘A novel complex{[Eu（H;TIA）(C;O;);（H;O）;]·H;O};of Eu（Ⅲ）with aromatic carboxylic triazole(H;TIA=5-（4H-1,2,4-triazol-4-yl）isophthalic acid,H;C;O;=oxalic acid)was hydrothermally synthesized and characterized by IR,UV-Vis,emission spectra and optical activity,and its crystal structure was determined.It crystallizes in triclinic system,space group P1 with a=7.4452（13）,b=10.776（2）,c=11.286（2）?,α=110.546（3）°,β=106.604（3）°,γ=99.031（3）°,V=486.0,GOOF=1.096,the final R=0.0196 and w R=0.0527 for 3081 observed reflections with I≥2σ（I）,R=0.0209 and wR=0.0535 for all data with（Δ/σ）;=0.001,（Δρ）;=0.48 and（Δρ）;=–0.46 e·?;.The natural bond orbital（NBO）charges,electrostatic potential（ESP）and frontier orbital of this complex were also analyzed.The results of anti-bacterial activity against Gram positive（S. aureus）and Gram negative（E. coli）bacteria reveal that the studied complex possesses a moderate inhibiting effect,and the inhibition effect on E.coli is better.
基金Project supported by the National Natural Science Foundation of China (20371023)
文摘The crystal and molecular structures of the Na[Eu Ⅲ (edta) ( H2 O) 3] · 4H2O ( edta = ethylenediaminetetraacetic acid) and Na4[Eu2Ⅲ (Httha)2] · 10H2 O ( ttha = triethylenetetraminehexaacetic acid) complexes were determined by single-crystal X-ray structure analyses.The crystal of Na[ EuⅢ (edta) (H2O)3] · 4H2O belongs to orthorhombic crystal system and Fdd2 space group.The crystal data are as follows: a = 1.9415 (15)nm, b = 3.544(3 )nm, c = 1.203(9)nm, V = 8.327(5)nm3, Z = 16, M = 589.27, Dc= 1.880 g· cm-3, μ= 3.108mm-1 and F(000) = 4704.The final R and wR values are 0.0312 and 0.0750 for 2091[I ＞ 2.0σ (I)] reflections, and 0.0344and 0.0766 for all 3932 unique reflections, respectively.The[EuⅢ (edta) (H2O) 3] - anion has a nine-coordinate pseudo-monocapped square antiprismatic structure in which the nine coordinate atoms, two N and seven O, are from one edta ligand and three water molecules.The crystal of Na4[Eu2Ⅲ (Httha)2] · 10H2O belongs to orthorhombic system and Pccn space group.The crystal data are as follows: a = 2.610(3)nm, b = 2.089(3)nm, c = 2.239(3)nm, V =12.208 ( 28 ) nm3, Z = 8, M = 1548.92, Dc= 1.686g·cm-3,μ = 2.115 mm-1andF(000) = 6272.Thefinal R and wR are 0.0625 and 0.1091 for 9834[I ＞ 2.0σ(I)] reflections, and 0.1608 and 0.1471 for all 37818 unique reflections, respectively.The whole complex molecule is composed of two close parts in which each one has a nine-coordinate structure with distorted monocapped square antiprismatic prism.The ttha ligand in the[Eu2Ⅲ (Httha)2] 4- anion coordinates to one Eu Ⅲ ion with three N atoms and four O atoms and to the other Eu Ⅲ ion with two O atoms.
文摘Radionuclide migration in aquatic environment is influenced by its sorption onto colloids/mineral oxides and the presence of organic complexing anions.With a view to understand the sorption of trivalent actinides by mineral oxides in presence of organic acid,in the present study,Eu(Ⅲ),malonic acid(MA)andγ-alumina are considered as representatives of trivalent actinides,low molecular weight natural occurring organic acid and aluminol sites,respectively.The influence of MA on sorption of Eu(Ⅲ)byγ-alumina was elucidated by batch sorption,spectroscopic techniques and surface complexation modeling,for the first time.Attenuated Total Reflection-Fourier Transform Infrared spectroscopic studies of MA sorbed onγ-alumina revealed the presence of two inner-sphere surface complexes.Batch sorption for binary(alumina-Eu(Ⅲ))and ternary(alumina-Eu(Ⅲ)-MA)systems were investigated as a function of p H,Eu(Ⅲ)concentration and sequential addition of Eu(Ⅲ)/MA.The p H edge for Eu(Ⅲ)sorption shifts to higher p H with increasing Eu(Ⅲ)concentration.In ternary systems,Eu(Ⅲ)sorption is significantly enhanced at p H<4.5.Eu(Ⅲ)speciation onγ-alumina is independent of addition sequence of Eu(Ⅲ)/MA.Time resolved fluorescence spectroscopy of Eu(Ⅲ)sorbed onγ-alumina exhibited two surface species,≡XOEu^2+and(≡YO)2 Eu^(+).The enhancement in I 616/I 592 and lifetime for ternary systems,as compared to binary system,at low p H,indicates the participation of Eu-MA complexes in the formation of surface species in ternary systems.The diffuse layer model has been employed to successfully model the experimental sorption profiles of binary and ternary systems,using code FITEQL 4.0,by considering the surface species identified by spectroscopic techniques.
