Nanoporous Metal-Organic Frameworks: An In Situ Crystallographic visualization of Gaseous Guest Molecules

Understanding gas-solid (guest-host) interactions have become important in the development of nanoporous metal-organic frameworks (MOFs) that can be used for various applications ranging from gas capture to gas separation. Techniques that lay bare these interactions and provide insight into the structural changes that occur within these materials are rare. Single-crystal X-ray diffraction (SCXRD) structural data obtained by exposing MOF crystals to gas pressure allows for the direct observation of the framework response to gas sorption and for the elucidation of guest-host interactions. Having access to this information may lead to valuable insights and the development of improved functional porous materials. In this work we report on an in situ SCXRD structural investigation of metal-organic frameworks while being subjected to gas at different pressures. We were able to crystallographically model the gaseous guest molecules and with the aid of a supporting theoretical investigations determine the type of guest-host interactions were present.