N-2-亚甲基-呋喃-二茂铁芳胺衍生物的合成与晶体结构及电化学性质

以邻、间、对-二茂铁苯胺为原料,合成了新的含呋喃二茂铁苯基席夫碱衍生物,还原得到N-2-亚甲基-呋喃-二茂铁芳胺衍生物,通过元素分析,IR,1H NMR和X-射线单晶衍射等分析手段,确证了标题化合物的组成和结构,化合物2 c单晶结构解析表明,2 c属于单斜晶系,P2/n空间群;其HOMO轨道主要由Fe原子及茂环上C的原子轨道组成,LUMO主要由O、N和苯环上C原子构成;电化学实验证明:邻、间、对化合物的电化学性质相似,苯环上取代基位置的不同,对化合物在电极表面的扩散系数影响不大,但对反应速率常数有较大的影响.

Synthesis and crystal structure and electrochemical properties of novel derivatives N-2-methenyl-fural-ferrocenyl-aryl-amines

Schiff bases derivatives containing ferrocenylphenyl and fural were synthesized by o,m,p-ferrocenylphenyl amines with 2-furaldehyde.N-2-methenyl-furan-ferrocenyl-aryl-amines were obtained by reduction of sodium borohydride.These compounds were characterized by elemental analyses,IR,1H NMR spectrum.The X-ray single crystal structure analysis of 2c indicated that the crystal belongs to monoclinic system,P2/n space group.The HOMO is composed of Fe and C atoms in ferrocene and O,N and C atoms of phenyl compose the LUMO.It was found that the electrochemical property of the compounds were very similar.The different substitute of phenyl didn't cause the distinct change for their diffusion coefficient(D),but could influence their electrochemical reaction rate constant(ks).CCDC: 617599.