A copper(Ⅱ) complex [CuL(H2O)(Sal)]·0.5H2O was obtained by the reaction of copper(Ⅱ) salicylate with 3-methyl-4-(4-methylphenyl)-5-(2-pyridyl)-1,2,4-triazole(L) in ethanol-water solution at room temperature.The...A copper(Ⅱ) complex [CuL(H2O)(Sal)]·0.5H2O was obtained by the reaction of copper(Ⅱ) salicylate with 3-methyl-4-(4-methylphenyl)-5-(2-pyridyl)-1,2,4-triazole(L) in ethanol-water solution at room temperature.The crystal belongs to triclinic system with space group P1,and a=0.913 6(4) nm,b=1.122 2(5) nm,c=1.263 3(7) nm,α= 67.10(2)°,β=76.31(3)°,γ=68.17(2)°,V= 1.101(1) nm3,Z=2.The final refinement gave R1=0.039 8 and wR2=0.106 0 for 3 453 reflections with I>2σ(I).This complex is a good purple fluorescent material in solid state at room temperature.展开更多
A dinuclear Cu(Ⅱ) complex [Cu2(MMBPT)2Cl4(H2O)2.5] (I) [MMBPT=3-Methyl-4-(4-Methylphenyl)-5-(2-pyridyl)-1,2,4-triazole] was synthesized by reaction of MMBPT with CuCl2.2H2O and its structure was determined by X-ray c...A dinuclear Cu(Ⅱ) complex [Cu2(MMBPT)2Cl4(H2O)2.5] (I) [MMBPT=3-Methyl-4-(4-Methylphenyl)-5-(2-pyridyl)-1,2,4-triazole] was synthesized by reaction of MMBPT with CuCl2.2H2O and its structure was determined by X-ray crystal structure analysis. The structure indicates that the complex crystallizes in monoclinic,space group P21/c with a=1.273 4(3) nm,b=1.237 5(3) nm,c=2.403 2(5) nm,β=90.51(3)°. V=3.786 6(13) nm3,Z=2,Dc=1.429 Mg.m-3,μ=1.445 mm-1,F(000)=1 660,and final R1=0.055 5,wR2=0.129 7. The crystal structure shows that the dinuclear Cu2N6 unit is almost planar in which each Cu(Ⅱ)ion was five-coordinated by one nitrogen atoms from MMBPT and two chlorine in the basal positions and two nitrogen atoms from two MMBPTs respectively in the axial one,to form a distorted trigonal bipyramidal geometry. Magnetic measurements reveal a relatively strong antiferromagentic interaction in the complex. CCDC:720011.展开更多
A dinuclear Mn(Ⅱ) complex [Mn2L2(μ-Cl)2Cl2(H2O)2](1) was synthesized by reaction of ligand L with MnCl2.4H2O and its structure was determined by X-ray crystal structure analysis.The structure indicates that the comp...A dinuclear Mn(Ⅱ) complex [Mn2L2(μ-Cl)2Cl2(H2O)2](1) was synthesized by reaction of ligand L with MnCl2.4H2O and its structure was determined by X-ray crystal structure analysis.The structure indicates that the complex crystallizes in monoclinic,space group C2/c with a=2.018 0(15) nm,b=0.894 0(6) nm,c=1.932 1(14) nm,β=97.506(12)°.V=3 456(4) nm3,Z=4,Dc=1.515 Mg.m-3,μ=1.081 mm-1,F(000)=1 608,and final R1=0.043 8,wR2= 0.109 9.The result shows a Mn(Ⅱ) ion was six-coordinated by a bidentate 3-methyl-4-(p-methylphenyl)-5-(2-pyridyl)-1,2,4-triazole,one chlorine and one bridging chlorine atom in the basal positions and one chloride atom and one water molecule in the axial one,to form a distorted octahedral-pyramidal geometry.展开更多
The complete strong--field--matrices for d<sup>2,8</sup>(C<sub>3v</sub><sup>*</sup>) ions are constructed within an O<sub>h</sub>-point--group representation. Based on t...The complete strong--field--matrices for d<sup>2,8</sup>(C<sub>3v</sub><sup>*</sup>) ions are constructed within an O<sub>h</sub>-point--group representation. Based on the eigenvalues and eigenvectors of these matrices, acomplete-configuration--mixing EPR theory is established for Ni<sup>2+</sup> ions in CsMgX (X=Cl,Br,I) kind crystals, and accordingly, a uniform calculation is performed for the opticalabsorption spectrum, the zero-field--splitting and Zeeman splitting of the ground state, theEPR parameters D and g and the EPR conditions (B,hv) of Ni<sup>2+</sup> impurity ions in a CsMgCl<sub>3</sub>crystal. The results are in very good agreement with the experimental, thus a uniform theo-retical interpretation is achieved for the optical and magnetic properties of Ni<sup>2+</sup>:CsMgCl<sub>3</sub>for the first time.展开更多
Ⅰ. INTRODUCTIONA lot of experimental work has been devoted to the research on optical and paramagnetic properties of CsMgX<sub>3</sub>(X=C1, Br, I) type crystals doped with transition metal ions. Optica...Ⅰ. INTRODUCTIONA lot of experimental work has been devoted to the research on optical and paramagnetic properties of CsMgX<sub>3</sub>(X=C1, Br, I) type crystals doped with transition metal ions. Optical and electronic paramagnetic resonance (EPR) spectra have been carefully measured for CsMgX<sub>3</sub> : Ni<sup>2+</sup> by Mcpherson et al. and a set of values of the EPR parameters (D, g∥, g⊥) have been obtained accordingly. A theoretical analysis on the experimental data has been reported in literature, but it cannot explain the fine structure of展开更多
文摘A copper(Ⅱ) complex [CuL(H2O)(Sal)]·0.5H2O was obtained by the reaction of copper(Ⅱ) salicylate with 3-methyl-4-(4-methylphenyl)-5-(2-pyridyl)-1,2,4-triazole(L) in ethanol-water solution at room temperature.The crystal belongs to triclinic system with space group P1,and a=0.913 6(4) nm,b=1.122 2(5) nm,c=1.263 3(7) nm,α= 67.10(2)°,β=76.31(3)°,γ=68.17(2)°,V= 1.101(1) nm3,Z=2.The final refinement gave R1=0.039 8 and wR2=0.106 0 for 3 453 reflections with I>2σ(I).This complex is a good purple fluorescent material in solid state at room temperature.
文摘A dinuclear Cu(Ⅱ) complex [Cu2(MMBPT)2Cl4(H2O)2.5] (I) [MMBPT=3-Methyl-4-(4-Methylphenyl)-5-(2-pyridyl)-1,2,4-triazole] was synthesized by reaction of MMBPT with CuCl2.2H2O and its structure was determined by X-ray crystal structure analysis. The structure indicates that the complex crystallizes in monoclinic,space group P21/c with a=1.273 4(3) nm,b=1.237 5(3) nm,c=2.403 2(5) nm,β=90.51(3)°. V=3.786 6(13) nm3,Z=2,Dc=1.429 Mg.m-3,μ=1.445 mm-1,F(000)=1 660,and final R1=0.055 5,wR2=0.129 7. The crystal structure shows that the dinuclear Cu2N6 unit is almost planar in which each Cu(Ⅱ)ion was five-coordinated by one nitrogen atoms from MMBPT and two chlorine in the basal positions and two nitrogen atoms from two MMBPTs respectively in the axial one,to form a distorted trigonal bipyramidal geometry. Magnetic measurements reveal a relatively strong antiferromagentic interaction in the complex. CCDC:720011.
文摘A dinuclear Mn(Ⅱ) complex [Mn2L2(μ-Cl)2Cl2(H2O)2](1) was synthesized by reaction of ligand L with MnCl2.4H2O and its structure was determined by X-ray crystal structure analysis.The structure indicates that the complex crystallizes in monoclinic,space group C2/c with a=2.018 0(15) nm,b=0.894 0(6) nm,c=1.932 1(14) nm,β=97.506(12)°.V=3 456(4) nm3,Z=4,Dc=1.515 Mg.m-3,μ=1.081 mm-1,F(000)=1 608,and final R1=0.043 8,wR2= 0.109 9.The result shows a Mn(Ⅱ) ion was six-coordinated by a bidentate 3-methyl-4-(p-methylphenyl)-5-(2-pyridyl)-1,2,4-triazole,one chlorine and one bridging chlorine atom in the basal positions and one chloride atom and one water molecule in the axial one,to form a distorted octahedral-pyramidal geometry.
基金Project supported by the National Natural Science Foundation of China.
文摘The complete strong--field--matrices for d<sup>2,8</sup>(C<sub>3v</sub><sup>*</sup>) ions are constructed within an O<sub>h</sub>-point--group representation. Based on the eigenvalues and eigenvectors of these matrices, acomplete-configuration--mixing EPR theory is established for Ni<sup>2+</sup> ions in CsMgX (X=Cl,Br,I) kind crystals, and accordingly, a uniform calculation is performed for the opticalabsorption spectrum, the zero-field--splitting and Zeeman splitting of the ground state, theEPR parameters D and g and the EPR conditions (B,hv) of Ni<sup>2+</sup> impurity ions in a CsMgCl<sub>3</sub>crystal. The results are in very good agreement with the experimental, thus a uniform theo-retical interpretation is achieved for the optical and magnetic properties of Ni<sup>2+</sup>:CsMgCl<sub>3</sub>for the first time.
基金Project supported by the National Natural Science Foundation of China
文摘Ⅰ. INTRODUCTIONA lot of experimental work has been devoted to the research on optical and paramagnetic properties of CsMgX<sub>3</sub>(X=C1, Br, I) type crystals doped with transition metal ions. Optical and electronic paramagnetic resonance (EPR) spectra have been carefully measured for CsMgX<sub>3</sub> : Ni<sup>2+</sup> by Mcpherson et al. and a set of values of the EPR parameters (D, g∥, g⊥) have been obtained accordingly. A theoretical analysis on the experimental data has been reported in literature, but it cannot explain the fine structure of