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Crystal Structure And Properties Of 4-hexanoyl-pyrazolone And Its Metal Complex

Posted on:2011-10-26Degree:MasterType:Thesis
Country:ChinaCandidate:J M LiFull Text:PDF
GTID:2121330305960622Subject:Inorganic Chemistry
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In this paper, A new ligand,4-hexanoyl-3-methyl-1-phenyl-1H -pyrazol-5(4H)-one(HL), and its Co(Ⅱ),Cu(Ⅱ),Zn(Ⅱ) complexes have been synthesized and characterized by single crystal X-ray diffraction, IR, UV, fluorescence spectra and thermogravimetric analysis.Experimental results of XRD of three crystal. Crystal of Co(L)2(H2O)2 is Monoclinic system, C 2/m, a=15.2439(12)(A|°), b=7.4101(6)(A|°), c=15.7381(18)(A|°), and Z=2, S=1.074 , Mr=637.63,F(000)= 674,V=1633.2(3)(A|°)3,Dc=1.297g/cm3,μ=0.573, R=0.0520,wR=0.1621 for 6141 independent reflections and 2162 observed reflections (Ⅰ>2σ(Ⅰ)). The Co2+ lies at an inversion center and has a ideal octahedral coordination environment with four oxygens of HL ligands in the equatorial plane and two water in axial positions. Crystal data for Zn(L)2 is triclinic system,P-1,a=10.3059(14)(A|°), b=12.7013(17)(A|°), c=16.247(2)(A|°),α=71.855,β=78.319(2)°,γ= 81.463o, 1970.7(4) A3, Z=2,Mr=637.07,F(000)= 670.0,V=1970.7(4)(A|°)3,Dc=1.547 Mg/m3,,wR=0.3644,R=0.1232. Crystal data for Cu(L)2(H2O)2 is orthorhombic, Pbca, a=15.120(5)(A|°),b= 7.167(2)(A|°), c=15.578(5)(A|°), V=1559.4(9)(A|°)3, Z=2,Mr=624.22,F(000)= 658.0,V=1559.4(9)(A|°)3,Dc=1.329 Mg/m3,wR=0.1098,R=0.0381,Structural analysis showed that the complexes tare octahedral.
Keywords/Search Tags:hexanoylpyrazolone, complex, characterization, crystal structure
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