摘要
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.
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 （k8）. CCDC ： 617599.
出处
《化学研究与应用》
CAS
CSCD
北大核心
2007年第10期1112-1117,共6页
Chemical Research and Application
基金
河南省自然科学基金资助项目(0611021400)
关键词
二茂铁衍生物
晶体结构
量化计算
电化学性质
： Ferrocenyl derivatives
crystal structure： electrochemical properties
