A self-assembling, biporous, metal-binding covalent organic framework and its application for gas separation

Abstract

We report a unique synthesis of a nanoporous two-dimensional covalent organic framework (COF) from a single self-assembling monomer. The novel 2D-COF (DPCOF) contains two chemically distinct nanopores, one that can coordinate transition metals and a second more unreactive pore that is approximately the size of small gas molecules. We then demonstrate the synthetic flexibility of the material by coordination of various transition metals into the framework and finally its application as a membrane for degasification and gas separation. Density functional theory (DFT) and molecular mechanics (MM) calculations were used to inform the computational construction of material models, allowing for the interpretation of pXRD data to elucidate the crystallographic structure of the novel materials, including the revelation that disordered monomer vacancies are likely present in the material.