title: Synthesis, crystal structure, electrochemistry and in situ FTIR spectroelectrochemistry of a bisferrocene pyrazole derivative.
abstract: One novel bisferrocene pyrazole derivative, bis [2-(5-trifluoromethyl-3-ferrocenyl) pyrazolyl] methane (abbreviated as (3)), was synthesized and fully characterized. A single crystal of (3) was obtained and solved by X-ray diffraction analysis. The bisferrocene derivative exhibits MLCT (metal to ligand charge transfer) and π→π* transitions in the UV-visible range, which have been verified by density functional theory (DFT) calculations. Its electrochemical properties were studied with the aid of cyclic voltammetry (CV), differential pulse voltammetry (DPV) and rapid scan time-resolved Fourier transform infrared spectroscopy (RS-TRS FT-IR) analysis. Furthermore, the electrochemical mechanism was elucidated based on the results from the cyclic voltabsorptometry (CVA) determination technique. (3) apparently shows a single wave in the cyclic voltammetric experiments which indicates there is no intermediate, however, the intermediate of (3) was observed by employing the RS-TRS FT-IR spectroelectrochemistry technique. The detailed investigation brought us safely to the conclusion that the methylene can also act as a linker, leading to electronic communication in either D-π-D and A-π-A systems.
authors.affiliation: Department of Chemistry, Key Laboratory of Functional Inorganic Material Chemistry of Anhui Province, Anhui University, Hefei, 230039, PR China.
authors.forename: Qiong
authors.initials: Q
authors.lastname: Zhang
authors.forename: Wen-Li
authors.initials: WL
authors.lastname: Song
authors.forename: A M
authors.initials: AM
authors.lastname: Showkot Hossain
authors.forename: Zhao-Di
authors.initials: ZD
authors.lastname: Liu
authors.forename: Gui-Ju
authors.initials: GJ
authors.lastname: Hu
authors.forename: Yu-Peng
authors.initials: YP
authors.lastname: Tian
authors.forename: Jie-Ying
authors.initials: JY
authors.lastname: Wu
authors.forename: Bao-Kang
authors.initials: BK
authors.lastname: Jin
authors.forename: Hong-Ping
authors.initials: HP
authors.lastname: Zhou
authors.forename: Jia-Xiang
authors.initials: JX
authors.lastname: Yang
authors.forename: Sheng-Yi
authors.initials: SY
authors.lastname: Zhang