The electronic structures of N,N′ bis[(1 phenyl 3 methyl 5 oxo 4 pyrazolinyl) α furylmethylidyne]ethylendii mine (and o phenylendiimine), and their complexes of transition metals M (M=Ni, Cu, Co, Pd, Pt) have been c...The electronic structures of N,N′ bis[(1 phenyl 3 methyl 5 oxo 4 pyrazolinyl) α furylmethylidyne]ethylendii mine (and o phenylendiimine), and their complexes of transition metals M (M=Ni, Cu, Co, Pd, Pt) have been calculated by B3LYP method of DFT. Their geometries and bonding characters are discussed, and the relationship between their bioactivities and electronic structures are also discussed from the calculated results of electronic populations and frontier orbital energies.展开更多
Eleven novel rare earth complexes[RE(HPMαFP)2Pen(NO3)2]NO3((HPMαFP)2 Pen:N,N’ -bis[(1-phenyl-3-methyl-5-oxo-4-pyrazolinyl )α-furylmethylidyne]-o-phenylenediimine;RE =La,Pr,Nd,Sm,Eu,Tb,Dy,Ho,Er,Yb,Y)have been synth...Eleven novel rare earth complexes[RE(HPMαFP)2Pen(NO3)2]NO3((HPMαFP)2 Pen:N,N’ -bis[(1-phenyl-3-methyl-5-oxo-4-pyrazolinyl )α-furylmethylidyne]-o-phenylenediimine;RE =La,Pr,Nd,Sm,Eu,Tb,Dy,Ho,Er,Yb,Y)have been synthesized.They were characterized by IR,UV-visible,1H NMR,13 C NMR,fluorescence,elemental analysis and molar conductance.The resu lts show that the bis-Schiff base ligand is quadridentate and the rare earth i ons are eight-coordinated in the complexes.The antibacterial ex periment indicated that they have hi gh antibacterial activities against S.aureus,B.subtillis,E.coli,E.carotovora and C.flaccumfaciens.展开更多
A new amino-acid Schiff base, 1-phenyl-3-methyl-4-(2-thenoyl) pyrazolone-5-β-alanine (HL) and its ten rare earth complexes have been synthesized. On the basis of elemental analysis and molar conductance, the general ...A new amino-acid Schiff base, 1-phenyl-3-methyl-4-(2-thenoyl) pyrazolone-5-β-alanine (HL) and its ten rare earth complexes have been synthesized. On the basis of elemental analysis and molar conductance, the general formula of the complexes, ·nH2O (RE=La, Nd, Eu, Tb, Y, n=2; RE= Pr, Sm, n=1; RE= Dy, Er, Yb, n=3), is given. They were characterized by IR, UV-visible, 1H NMR, 13C NMR and fluorescence. The results show that the rare earth ions exhibit coordination of eight in the complexes.The antibacterial experiments indicate that they have high antibacterial activities against S. Aureus, B. Subtillis, E. Coli, E. Carotovora and C. Flaccumfaciens.展开更多
A new ligand N,N′ bis[(1 phenyl 3 methyl 5 oxo 4 pyrazolinyl) 2 thenoylmethylidyne]ethyl enediimine (HPMTHP)\-2en and its five complexes have been sythesized. These complexes have the general formula [M(PMTHP)\-2en],...A new ligand N,N′ bis[(1 phenyl 3 methyl 5 oxo 4 pyrazolinyl) 2 thenoylmethylidyne]ethyl enediimine (HPMTHP)\-2en and its five complexes have been sythesized. These complexes have the general formula [M(PMTHP)\-2en], where M=Cu(Ⅱ), Ni(Ⅱ), Co(Ⅱ), Pd(Ⅱ), Pt(Ⅱ). They were characterized by elemental analysis, IR, UV vis, magnetic moments and molar conductance. The results showed that the complexes are all of quadricoordinate square planar geometry. The antibacterial experiment indicated that they have high antibacterial activities against S. aureus, B. subtillis, E. coli, E. carotovora, C. flaccumfaciens.展开更多
A one-dimensional chain complex bis{4-[(Z)-(4-chlorophenylamino)(2-furyl)methylene]-3-methyl-1-phenylpyrazol-5-onato}zinc(Ⅱ) Zn(C26H15N3O2Cl)2 has been synthesized. Its structure was characterized by elemental analys...A one-dimensional chain complex bis{4-[(Z)-(4-chlorophenylamino)(2-furyl)methylene]-3-methyl-1-phenylpyrazol-5-onato}zinc(Ⅱ) Zn(C26H15N3O2Cl)2 has been synthesized. Its structure was characterized by elemental analysis, IR, UV, thermal analysis and X-ray diffraction single crystal structure analysis. The title complex crystallizes in triclinic system, space group P1 with a=0.903 58(18) nm, b=1.359 8(3) nm, c=1.757 0(4) nm; α=102.42(3)°, β=101.24(3)°, γ=109.2(4)°, V=1.906 3(10) nm3. The final R factors are R=0.051 3 and wR=0.133 9. The zinc atom is four-coordinate involving two oxygen atoms and two nitrogen atoms forming a distorted tetrahedral geometry. The intermolecular hydrogen bonds C-H…N, C-H…Cl, C-H…π, together with intramolecular π…π stacking in the large congujate system, leading to the formation of a one-dimensional supramolecular chain. The results of TG-DTA analysis show that the title complex was stable under 323 ℃.展开更多
文摘The electronic structures of N,N′ bis[(1 phenyl 3 methyl 5 oxo 4 pyrazolinyl) α furylmethylidyne]ethylendii mine (and o phenylendiimine), and their complexes of transition metals M (M=Ni, Cu, Co, Pd, Pt) have been calculated by B3LYP method of DFT. Their geometries and bonding characters are discussed, and the relationship between their bioactivities and electronic structures are also discussed from the calculated results of electronic populations and frontier orbital energies.
文摘Eleven novel rare earth complexes[RE(HPMαFP)2Pen(NO3)2]NO3((HPMαFP)2 Pen:N,N’ -bis[(1-phenyl-3-methyl-5-oxo-4-pyrazolinyl )α-furylmethylidyne]-o-phenylenediimine;RE =La,Pr,Nd,Sm,Eu,Tb,Dy,Ho,Er,Yb,Y)have been synthesized.They were characterized by IR,UV-visible,1H NMR,13 C NMR,fluorescence,elemental analysis and molar conductance.The resu lts show that the bis-Schiff base ligand is quadridentate and the rare earth i ons are eight-coordinated in the complexes.The antibacterial ex periment indicated that they have hi gh antibacterial activities against S.aureus,B.subtillis,E.coli,E.carotovora and C.flaccumfaciens.
文摘A new amino-acid Schiff base, 1-phenyl-3-methyl-4-(2-thenoyl) pyrazolone-5-β-alanine (HL) and its ten rare earth complexes have been synthesized. On the basis of elemental analysis and molar conductance, the general formula of the complexes, ·nH2O (RE=La, Nd, Eu, Tb, Y, n=2; RE= Pr, Sm, n=1; RE= Dy, Er, Yb, n=3), is given. They were characterized by IR, UV-visible, 1H NMR, 13C NMR and fluorescence. The results show that the rare earth ions exhibit coordination of eight in the complexes.The antibacterial experiments indicate that they have high antibacterial activities against S. Aureus, B. Subtillis, E. Coli, E. Carotovora and C. Flaccumfaciens.
文摘A new ligand N,N′ bis[(1 phenyl 3 methyl 5 oxo 4 pyrazolinyl) 2 thenoylmethylidyne]ethyl enediimine (HPMTHP)\-2en and its five complexes have been sythesized. These complexes have the general formula [M(PMTHP)\-2en], where M=Cu(Ⅱ), Ni(Ⅱ), Co(Ⅱ), Pd(Ⅱ), Pt(Ⅱ). They were characterized by elemental analysis, IR, UV vis, magnetic moments and molar conductance. The results showed that the complexes are all of quadricoordinate square planar geometry. The antibacterial experiment indicated that they have high antibacterial activities against S. aureus, B. subtillis, E. coli, E. carotovora, C. flaccumfaciens.
文摘A one-dimensional chain complex bis{4-[(Z)-(4-chlorophenylamino)(2-furyl)methylene]-3-methyl-1-phenylpyrazol-5-onato}zinc(Ⅱ) Zn(C26H15N3O2Cl)2 has been synthesized. Its structure was characterized by elemental analysis, IR, UV, thermal analysis and X-ray diffraction single crystal structure analysis. The title complex crystallizes in triclinic system, space group P1 with a=0.903 58(18) nm, b=1.359 8(3) nm, c=1.757 0(4) nm; α=102.42(3)°, β=101.24(3)°, γ=109.2(4)°, V=1.906 3(10) nm3. The final R factors are R=0.051 3 and wR=0.133 9. The zinc atom is four-coordinate involving two oxygen atoms and two nitrogen atoms forming a distorted tetrahedral geometry. The intermolecular hydrogen bonds C-H…N, C-H…Cl, C-H…π, together with intramolecular π…π stacking in the large congujate system, leading to the formation of a one-dimensional supramolecular chain. The results of TG-DTA analysis show that the title complex was stable under 323 ℃.
