A diverse collection of 14 metal-organic frameworks (MOFs) was screened for CO(2) capture from flue gas using a combined experimental and modeling approach. Adsorption measurements are reported for the screened MOFs at room temperature up to 1 bar. These data are used to validate a generalized strategy for molecular modeling of CO(2) and other small molecules in MOFs. MOFs possessing a high den...

The interaction of guest Pt(II) ions with UiO-66-X (X = NH2, H, NO2, OMe, F) series metal-organic frameworks (MOFs) in aqueous solution was investigated using in situ X-ray absorption spectroscopy. All of these MOFs were found to be able to coordinate with Pt(II) ions. The Pt(II) ions in UiO-66-X MOFs generally coordinate with 1.6-2.4 Cl and 1.4-2.4 N or O atoms. We also studied the time evolut...

We are investigating the design of porous crystalline solids based on metal-organic frameworks (MOFs) composed of organic molecules and metal ions. MOFs derive their porosity by forming channels that permeate the crystal. As such, MOFs represent an important new class of functional materials that show fantastic potential for a range of applications that include storage of gases (e.g., hydrogen)...

Reactions between two novel hexatopic carboxylate ligands and copper salts give rise to two isostructural metal-organic frameworks (MOFs) with a (3,24)-connected network topology containing both micro- and mesocavities with sizes of up to 3 nm. Both frameworks retain their porosity after guest-molecule removal, leading to high surface areas. Constructing MOFs containing mesocavities with microw...

In this data article, we present the structural and PARD data of the Ln-MOFs. Detailed structure, luminescence and sensing properties were discussed in our previous study (Zeng et al., in press) [1] The data includes the SBU structure patterns of these Ln-MOFs, thermostability of Ln-MOFs in water and also detailed structure information listed in Table 1, Table 2, Table 3, Table 4, Table 5, Tabl...

Metal-organic frameworks (MOFs) are emerging material class for the past few years due to its tailorability characteristics for various applications. However, the research and development (R&D) of MOFs is still scarce for fuel cell system. This may be due to the several difficulties faced in selecting a good MOFs-based electrolyte, which consequently affects both proton conduction and methanol ...

For a reliable prediction of CO2 loading in metal−organic (MOFs) and zeolitic-imidazolate frameworks (ZIFs) by molecular simulation, accurate description of the van der Waals (vdW) and Coulomb interactions is undoubtedly the most critical component. However, there have been some strong recent indications that the use of generic force fields (FFs) widely used in most current CO2/ MOF simulations...

Metal-organic frameworks (MOFs) have received attention for a myriad of potential applications including catalysis, gas storage, and gas separation. Coordinatively unsaturated metal ions often enable key functional behavior of these materials. Most commonly, MOFs have been metalated from the condensed phase (i.e., from solution). Here we introduce a new synthetic strategy capable of metallating...

INTRODUCTION Multiple organ failure syndrome (MOFS) is a pathology associated to unspecified and severe trauma, characterized by elevated morbidity and mortality. The complex inflammatory MOFS-related reactions generate important ischemia-reperfusion responses in the induction of this syndrome. Nitric oxide elevation, through the activation of cyclic guanosine monophosphate (cGMP), has the pote...