A novel Cu (Ⅱ) complex of 1-phenyl-3-methyl-4-acyl-5-pyrazolone was synthesized and crystallogra- phically characterized. The single-crystal structure of the complex reveals that the crystal belongs triclinic, space ...A novel Cu (Ⅱ) complex of 1-phenyl-3-methyl-4-acyl-5-pyrazolone was synthesized and crystallogra- phically characterized. The single-crystal structure of the complex reveals that the crystal belongs triclinic, space group P1 with cell parameters a=0.938 7(4) nm, b=1.124 4(5) nm, c=1.222 3(5) nm, α=99.538(7)°, β=104.049(8)°, γ=113.806(6)°, and Z=2, V=1.093 3(8) nm3. Cu(Ⅱ) ion is coordinated by two 1-phenyl-3-methyl-4-acyl-5-pyrazolone ligands, and one methanol molecule giving a coordination number of five, the coordination polyhedron around Cu(Ⅱ) ion can be described as a square pyramid. Two complex units link to each other through the hydrogen-bonding interactions to form a dimer. Meanwhile, a staircase-like layer structure was built up by offset face-to-face π…π stacking interactions and weak interactions between the dimers.展开更多
3-甲基-1-苯基-5-吡唑酮(HMPP)与醋酸锌反应得到配合物[Zn2(MPP)2(CH3COO)2]·H2O。通过元素分析、红外光谱、核磁共振氢谱、热重-差热和扫描电镜对配合物的组成和结构进行了表征。用循环伏安法考察了该配合物的电化学行为,发现其...3-甲基-1-苯基-5-吡唑酮(HMPP)与醋酸锌反应得到配合物[Zn2(MPP)2(CH3COO)2]·H2O。通过元素分析、红外光谱、核磁共振氢谱、热重-差热和扫描电镜对配合物的组成和结构进行了表征。用循环伏安法考察了该配合物的电化学行为,发现其电子转移是准可逆的。通过紫外光谱法研究了它与牛血清白蛋白的相互作用,发现二者通过氢键、van der Waals力结合。该配合物对Pb2+的吸附测试结果表明,在40 min内,配合物对25mg/L的Pb2+的吸附去除率达99.74%。展开更多
The crystal structure and molecular structures of the title compound were determined using Xray analysis.The crystal belongs to monoclinic system with the space group P21/c,C21H20N4O2,with Mr=358...The crystal structure and molecular structures of the title compound were determined using Xray analysis.The crystal belongs to monoclinic system with the space group P21/c,C21H20N4O2,with Mr=35839,a=12845(3),b=19334(4),c=073112(5)nm,β=9443(3)°,V=18103(4)nm3,Z=4,DC=132Mg·m-3,μ=0088mm-1,and F(000)=752.The final discrepancy factor R1=01508,and S=0942.The result showed that the dihedral angles between the two pyrazolinone rings and phenyl rings were 1267 and 798°,which indicated that these two planes roughly coplanar to each other forming a big conjugate system.展开更多
文摘A novel Cu (Ⅱ) complex of 1-phenyl-3-methyl-4-acyl-5-pyrazolone was synthesized and crystallogra- phically characterized. The single-crystal structure of the complex reveals that the crystal belongs triclinic, space group P1 with cell parameters a=0.938 7(4) nm, b=1.124 4(5) nm, c=1.222 3(5) nm, α=99.538(7)°, β=104.049(8)°, γ=113.806(6)°, and Z=2, V=1.093 3(8) nm3. Cu(Ⅱ) ion is coordinated by two 1-phenyl-3-methyl-4-acyl-5-pyrazolone ligands, and one methanol molecule giving a coordination number of five, the coordination polyhedron around Cu(Ⅱ) ion can be described as a square pyramid. Two complex units link to each other through the hydrogen-bonding interactions to form a dimer. Meanwhile, a staircase-like layer structure was built up by offset face-to-face π…π stacking interactions and weak interactions between the dimers.
文摘3-甲基-1-苯基-5-吡唑酮(HMPP)与醋酸锌反应得到配合物[Zn2(MPP)2(CH3COO)2]·H2O。通过元素分析、红外光谱、核磁共振氢谱、热重-差热和扫描电镜对配合物的组成和结构进行了表征。用循环伏安法考察了该配合物的电化学行为,发现其电子转移是准可逆的。通过紫外光谱法研究了它与牛血清白蛋白的相互作用,发现二者通过氢键、van der Waals力结合。该配合物对Pb2+的吸附测试结果表明,在40 min内,配合物对25mg/L的Pb2+的吸附去除率达99.74%。
文摘The crystal structure and molecular structures of the title compound were determined using Xray analysis.The crystal belongs to monoclinic system with the space group P21/c,C21H20N4O2,with Mr=35839,a=12845(3),b=19334(4),c=073112(5)nm,β=9443(3)°,V=18103(4)nm3,Z=4,DC=132Mg·m-3,μ=0088mm-1,and F(000)=752.The final discrepancy factor R1=01508,and S=0942.The result showed that the dihedral angles between the two pyrazolinone rings and phenyl rings were 1267 and 798°,which indicated that these two planes roughly coplanar to each other forming a big conjugate system.
