Solid-State NMR Investigations of Carbon Dioxide Gas in Metal–Organic Frameworks: Insights into Molecular Motion and Adsorptive Behavior

Abstract

Solid-state nuclear magnetic resonance (SSNMR) methods have been routinely used for the characterization of both the structure and the dynamics of metal organic frameworks (MOFs), a collection of porous media investigated for potential applications in carbon capture technologies, selective separation of small molecules, and catalysis.

Cryo-EM Structures of Atomic Surfaces and Host-Guest Chemistry in Metal-Organic Frameworks

“…15,16 Furthermore, guest molecules are likely to desorb from MOF pores under the high-vacuum condition ($10 À6 mbar) of the TEM at room temperature (Supplemental Experimental Procedures). Therefore, current studies rely on ensemble measurements using X-ray/neutron diffraction, 17,18 nuclear magnetic resonance, 19 or theoretical simulations. 20 However, the structural information obtained by these methods is averaged over bulk particles.…”

Solid‐state NMR studies of the acidity of functionalized metal–organic framework UiO‐66 materials

“…[35] Solid-state NMR spectroscopy was frequently utilized for the exploration of the chemical structures, dynamic behavior, and host-guest interaction of MOFs. [36][37][38][39][40][41][42][43][44] To investigate the chemical composition of these activated UiO-66-X (X = -H, -2COOH, -SO 3 H) and multivariate functionalized UiO-66-X samples, 1 H and 13 C MAS NMR experiments were conducted. Figure 2 shows the 1 H MAS and 13 C CP/MAS NMR spectra of dehydrated UiO-66, UiO-66-SO 3 H, UiO-66-2COOH and multivariate functionalized UiO-66-X samples.…”

Solid-state NMR spectroscopy: an advancing tool to analyse the structure and properties of metal–organic frameworks

“…MOFs are potent materials not only for gas storage but also for separation, e.g., removal of CO 2 from other gases like methane. Various 13 C NMR investigations of CO 2 adsorbed on MOFs were reported meanwhile as can be found in the recent review by Witherspoon et al 48 Interaction of CO 2 with open Mg sites in Mg-MOF-74 revealed a line shape characteristic of chemical shi anisotropy but with a reduced width compared to that of rigid CO 2 . 49 It was concluded that adsorbed CO 2 jumps between different open metal sites.…”