Study On Synthesis, Structures And Properties Of Ferrocene Derivatives

Since the crystal structure of ferrocene was elucidated in 1952, the fascinating structural properties of ferrocene and its derivatives caused an unrivaled interest in all fields of organometallic chemistry. In the last few years the chemistry of ferrocene and the molecular design of new compounds containing ferrocene unit has received much attention, associated with the utility of such compounds in many fields such as organic synthesis , homogeneous catalysis ,material chemistry ,and production of fine chemicals. In order to further explore the structure-activity relation of the ferrocene derivatives, eight novel compounds containing ferrocene unit was synthesized, and its chemical formulates are listed as below. (â… ): (C₅H₅)Fe(C₅H₄)COOH (â…¡): (C₅H₅)Fe(C₅H₄)COOC₂H₅ (â…¢): (C₅H₅)Fe(C₅H₄)COOCH(CH₃)₂ (â…£): (C₅H₅)Fe(C₅H₄)COCH₂COOC₂H₅ (â…¤): (C₅H₅)Fe(C₅H₄)(CH₃)C=CHCOCH₃ (â…¥): (C₅H₅)Fe(C₅H₄)(CH₃)C=CHCOCH=CHC₆H₅ (â…¦): (C₅H₅)Fe(C₅H₄)(CH₃)C=CH(CH₃)C=NNH(C₆H₃-2,4-(NO₂)₂) (â…§): (C₅H₅)Fe(C₅H₄)(CH₃)C=CH(CH=CHC₆H₄)C=NNH(C₆H₃-2,4-(NO₂)2) The characterization and property (X-ray, IR, UV-vis, TG-DTA and CV ) of the complexes are described. At the same time, the electronic structure and bonding properties of the compound (â… ) and (â…¡) by quantum chemistry calculation are also discussed. The study on the structure of the complex (â… ) shows that it consists of molecular form dipolymer structure through intermolecular hydrogen bond (0-H…O=C). There is α,β-unsaturated carboxyl group which is formated super-conjugate with ferrocene unit.The electricproperty effect of substituted group influences on the center iron atom, which results in the corresponding variation of redox and the chemical shift of cyclopentadienyl ring.