5-二茂铁基吡唑啉衍生物的合成及性质

Synthesis and Properties of 5-Ferrocenyl-pyrazoline Derivatives

以甲酰基二茂铁和2-乙酰基吡啶为原料,合成了3个1-芳香酰基-3-(2-吡啶基)-5-二茂铁基-2-吡唑啉衍生物(3～5),通过红外光谱、质谱、1H NMR、13C NMR和元素分析对其进行了表征,并对化合物4的单晶结构进行了解析.研究了该类化合物的电化学性质及紫外、荧光光谱,并借助密度泛函理论(DFT)计算从理论上加以解释.

Recently, great interest has been generated in the synthesis and study of heterocyclic derivatives containing one or more ferrocenes, since these derivatives have potential applications as new functional materials in several areas. As a stable and readily oxidizable organometallic complex, ferrocne has been widely employed in multifunctional systems, which have exhibited potential utilizations in electrochemical sensors, molecular recognition and ethylene oligomerization catalysts. Combining the considerations above, we designed a simple and general approach to synthesis three 5-ferrocenyl-pyrazoline derivatives（3—5）. The structures of all the products were determined by IR, MS, 1^H NMR, 13^C NMR and elemental analysis. The crystal structure of compound 4 was proved by single crystal X-ray analyses. Moreover, compounds 3—5 were characte-rized by CV, UV-Vis absorption and fluorescence spectrometry. Density functional theory（DFT） calculation was adopted to explain these phenomena. These compounds will be used as electrochemical sensors and ethylene oligomerization catalysts.