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
MS and in-trap collision induced dissociation multi-stage spectra(CID-MSn) under the positive scanning mode were studied for 1-phenyl-3-methyl-pyrazolone-5 by using electrospray ionization-mass spectrometry(ESI-MS),th...MS and in-trap collision induced dissociation multi-stage spectra(CID-MSn) under the positive scanning mode were studied for 1-phenyl-3-methyl-pyrazolone-5 by using electrospray ionization-mass spectrometry(ESI-MS),the fragmentation law of fragmental ions derived from the keto and enol isomers of this compound were discussed about and the corresponding fragmentation pathway was given.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
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
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MS and in-trap collision induced dissociation multi-stage spectra(CID-MSn) under the positive scanning mode were studied for 1-phenyl-3-methyl-pyrazolone-5 by using electrospray ionization-mass spectrometry(ESI-MS),the fragmentation law of fragmental ions derived from the keto and enol isomers of this compound were discussed about and the corresponding fragmentation pathway was given.
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.
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%。
