Side-Chain Type Ferrocene Macrocycles

A class of side-chain type ferrocene macrocycles with a radially conjugated system is introduced in this study. The stereo configurations of these ferrocene rings were determined through single-crystal X-ray diffraction analysis. Notably, in the solid state, the ferrocene rings exhibit a distinctive herringbone stacking pattern imposed by a ferrocene-to-ring host–guest interaction. Through UV–vis absorption spectroscopy, electrochemical measurements, and theoretical calculations, valuable insights into the electronic properties of these rings were obtained. In addition, the single crystal of macrocycle A 2 B demonstrates a second-order nonlinear optical response. As a class of organometallic nanorings, this work holds great potential for further exploration in the fields of organometallic chemistry, molecular electronics, and host–guest chemistry.