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新型1,1′-双(4,5-二烷基)咪唑二茂铁的合成及其晶体结构 被引量:1

Synthesis and Crystal Structure of Novel 1,1′-Bis(4,5-dialkyl) imidazole Ferrocene
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摘要 1,1′-二茂铁二甲醛与烷基二酮反应合成了3种新型的1,1′-双(4,5-二烷基咪唑)二茂铁,其结构经1HNMR,13C NMR,IR,ESI-MS及元素分析表征。1,1′-双(4,5-二苯基咪唑)二茂铁醋酸盐(1a′)的晶体结构经X-射线单晶衍射表征。1a′的晶体结构显示二茂铁的两个取代咪唑通过与醋酸的氢键作用形成顺式构型,探讨了顺式构型与反式构型的转化条件。1a′属单钭晶系,C2/c空间群,晶胞参数:a=15.832(4),b=19.255(4),c=14.781(4),β=121.837(3)°,V=3828.0(15)3,Z=4,F(000)=1 687,Dc=1.395 g.cm-3,Mr=804.07。 Three novel 1,1 '-bis(4,5-dialkyl) imidazole ferroeenes were synthesized by the reaction of 1, 1'-diformylferrocene with alkyldiketones. The structures were characterized by 1^H NMR, 13^C NMR, IR, ESI-MS and elemental analysis. The crystal structure of 1,1 '-ferroeenyl-bis(4,5-diphenyl) imidazolium aeetate(1a') was studied by X-ray diffraction. The results showed that two imidazole rings are c/s-configuration by hydrogen bond between imidazoles and acetic acid. Transformation conditions of c/s- and trans-configurations were studied, 1a' belongs to monoelinie, space group C2/c with a=15.832(4) A, b =19.255(4) A, c=14.781(4) A, B=121.837(3)°, V=3828.0(15) A^3, Z=4, F(000) =1 687, Dc=1.395 g· cm^-3, Mr=804.07.
出处 《合成化学》 CAS CSCD 北大核心 2010年第2期172-175,共4页 Chinese Journal of Synthetic Chemistry
基金 北京市组织部优秀人才基金资助项目(2009D005016000016) 教育部留学回国人员科研启动基金资助项目
关键词 二茂铁 1 1’-二茂铁二甲醛 咪唑 合成 晶体结构 ferroeene 1,1 '-diformylferroeene imidazole synthesis crystal structure
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同被引文献12

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