Inter-ligand charge-transfer interactions in a photochromic and redox active zinc–organic framework

Abstract

Understanding the charge-transfer mechanism in metal–organic frameworks is of great importance to design photoactive, electroactive and conductive materials. A novel Zn(II)–organic framework shows a 1D stair-like structure with strong π–π stacking interactions between the mixed linkers. What's more, it displays reversible photochromic properties and its thin film exhibits electroactive properties due to the redox active behavior of NDI core parts and the electron or charge transfer within the linkers. Also, TD-DFT computational calculations show that inter-ligand charge-transfer interactions exist in this novel photochromic and redox active MOF.