酰腙含-CONHN=CH-基团，表现出良好的生物活性，若将同样具有生物活性的吡咯环引入到酰腙化合物中，实现两类活性基团的叠加，可望得到具有独特抑菌活性的新化合物。 本文合成出系列吡咯类酰腙化合物及其过渡金属酰腙配合物，并研究它们的热稳定性及与CT-DNA的相互作用。主要工作如下： （1）合成出7种含吡咯环酰腙化合物，分别为：2-羟基-1-萘甲醛-2-吡咯甲酰腙C16H13N3O2(I)、2,4-二羟基苯甲醛-2-吡咯甲酰腙C12H11N3O3(II)、2-羟基-3-甲氧基苯甲醛-2-吡咯甲酰腙C13H13N3O3(III)、3-羟基-4-甲氧基苯甲醛-2-吡咯甲酰腙C13H13N3O3(IV)、4-氯苯甲醛-2-吡咯甲酰腙C12H10ClN3O(V)、4-溴苯甲醛-2-吡咯甲酰腙C12H10BrN3O(VI)和4-碘苯甲醛-2-吡咯甲酰腙C12H10IN3O(VII)，并在乙醇溶液中培养得到7种上述酰腙化合物单晶。通过元素分析、红外光谱和X-射线单晶衍射进行表征。X-射线单晶衍射结果表明酰腙化合物I、II、IV、V、VI和VII属单斜晶系，III为正交晶系。 （2）利用上述酰腙化合物I与Fe(NO3)3•9H2O合成出过渡金属配合物Fe(C16H12N3O2)2NO3，并在甲醇溶液中培养出单晶。X-射线单晶衍射结果表明1属正交晶系，空间群为P212121，Z =8。 （3）采用热重技术探究酰腙化合物I～VII及配合物1的热分解过程和热稳定性。利用Kissinger和Ozawa公式计算在3种升温速率下7种酰腙及配合物1的主要热分解阶段的热动力学参数。热重结果显示，化合物I～VII最大热分解峰分别出现在288.96℃、267.59℃、284.79℃、281.25℃、289.70℃、289.21℃和297.98℃，表观活化能分别为176.1kJ/mol，176.6 kJ/mol，122.9 kJ/mol，120.5 kJ/mol，125.2 kJ/mol，132.9 kJ/mol和298.3 kJ/mol，说明化合物I～VII都具有良好的热稳定性。配合物1的表观活化能为355.1 kJ/mol，比配体I的大，说明配合物1比配体I稳定。 （4）通过粘度实验和微量热实验研究7种酰腙及配合物1与CT-DNA的相互作用。结果表明酰腙I～VII及配合物1都与CT-DNA发生了插入作用，焓变值分别为ΔH(I)=-6.07 kJ/mol、ΔH(II)=4.67 kJ/mol、ΔH(III)=4.40 kJ/mol、ΔH(IV)=6.67 kJ/mol、ΔH(V)=2.50 kJ/mol、ΔH(VI)=6.41 kJ/mol、ΔH(VII)=-3.01 kJ/mol和ΔH(1) = 18.40 kJ/mol。从数据结果可以看出，配合物1与CT-DNA的结合能力比配体I强。

Hydrazone compounds containing -CONHN=CH- group present high biological activity. According to the superposition principle, we introduced the pyrrole ring which has strong biological activity into acylhydrazones, thus make the new compounds have the unique bactericidal activity. In this paper, a series of hydrazone compounds with their trasition metal complexes were synthesized. Thermal stabilities and CT-DNA binding studies of seven novel acylhydrazone compounds with their metal complexes were also investigated. The main researches are as follows: (1) Seven hydrazone componds 2-hydroxy-1-naphthaldehyde-2-carbohydrazone C16H13N3O2 (I), 2,4-dihydroxybenzaldehyde-pyrrole-2-carbohydrazone C12H11N3O3 (II), 2-hydroxy-3-methoxybenzaldehyde-pyrrole-2-carbohydrazone C13H13N3O3 (III), 3-hydroxy-4-methoxybenzaldehyde-pyrrole-2-carbohydrazone C13H13N3O3 (IV), 4-chlorobenzaldehyde-2-carbohydrazone C12H10ClN3O(V), 4-bromobenzaldehyde-2-carbohydrazone C12H10BrN3O(VI), 4-iodobenzaldehyde-2-carbohydrazone C12H10IN3O (VII) were synthesized, seven single crystals were grown by slow evaporation solution growth technique from ethanol. The compounds have been characterized by elemental analysis, IR spectroscopy and single-crystal X-ray diffraction. The crystal of compounds I, II, IV, V, VI and VII belonged to monoclinic crystal lattice, and the compound III crystallized in the orthorhombic system. (2) The metal complex (1) (Fe(C16H12N3O2)2NO3) have been synthesized by reaction of compound I with Fe(NO3)•9H2O, the single crystal was obtained by slow evaporation of methanol aqueous solution. The complex 1 crystallized in the orthorhombic system in the space group P212121 with Z=8 in the unit cell. (3) The thermal properties of the seven hydrazones and complexe 1 were investigated by thermogravimetric analysis and differential thermogravimetric (TG-DTG). Kinetic parameters of main thermal decomposition of seven hydrazone compounds and complex 1 were carried out by three different heating rate (5、10 and 15℃/min) according to the the equations of Kissinger and Ozawa. The TG-DTG result showed that the hydrazone compounds I～VII displayed good thermal stability, the maximum decomposition peaks of hydrazone compounds I～VII were at the temperature of 288.96℃, 267.59℃, 284.79℃, 281.25℃, 289.70℃, 289.21℃ and 297.98℃, and their apparent activation energy values were 176.1kJ/mol, 176.6 kJ/mol, 122.9 kJ/mol, 120.5 kJ/mol, 125.2 kJ/mol, 132.9 kJ/mol, 298.3 kJ/mol, respectively. The apparent activation energy value of complex 1 is 355.1 kJ/mol, is stronger than hydrazone ligand I, and the thermal stability of the complex 1 is higher than hydrazone ligand I. (4) The thermogenic curves of seven hydrazones and complex 1 reacting with CT-DNA were measured by viscosity and microcalorimetry, indicating that the interactions of seven hydrazone compounds and complex 1 with CT-DNA belong to intercalation mode, and their enthalpies were ΔH(I)=-6.07 kJ/mol, ΔH(II)=4.67 kJ/mol, ΔH(III)=4.40 kJ/mol, ΔH(IV)=6.67 kJ/mol, ΔH(V)=2.50 kJ/mol, ΔH(VI)=6.41 kJ/mol, ΔH(VII)=-3.01 kJ/mol and ΔH(1)=18.40 kJ/mol, respectively. It was shown that the binding ability of the complex 1 with CT-DNA was better than the hydrazone ligand I.