Synergistic Induction of Solvent and Ligand-Substitution in Single-Crystal to Single-Crystal Transformations toward a MOF with Photocatalytic Dye Degradation

Iodine capture of a two-dimensional layered uranyl–organic framework: a combined DFT and AIMD study

“…The calculations related to truncated clusters were performed using the PBE 46 and TPSSh 47–49 functionals as implemented in the ORCA 4.2.1 program, 41,42 taking into account Grimme's D3 dispersion correction. 50 The small-core scalar relativistic effective core potential (SC-RECP) was combined with the contracted [10s9p5d4f3g] basis set for U atoms.…”

“…The 2D MOFs refer to layer-stacked MOFs composed of adjacent substituted conjugated building blocks and square-planar linkages with high in-plane conjugation and weak out-of-plane van der Waals interactions, 39 This not only retains the tunable porosity and active site characteristics of traditional MOFs but also possesses unique chemical and physical properties, thereby enabling the widespread applications of 2D MOFs. 40–42 Zhang et al employed linear uranyl cations UO 2 2+ and triazinetricarboxylic acid ligand H 3 TATAB for the first time to construct a novel 2D MOF U-TATAB with a graphene-like layered topology. 43 Due to its planar structure, enriched nitrogen-rich triazine rings, abundant phenyl rings, and NH– adsorption sites, it exhibits favorable interactions with iodine molecules, thus promoting their adsorption ability.…”

Single‐crystal‐to‐single‐crystal transformation of a two‐dimensional noninterpenetrated layer to a microporous three‐dimensional fourfold interpenetrated MOF triggered by DMF

“…Due to the profound negative impact of human activities on the environment, the annual output of dyes exceeds 700,000 tons, and new materials need to be developed to improve the dye wastewater treatment process 34,35 . SCSC transformation has created new functional materials with photocatalytic performance and improved the performance of the original single crystal 36 …”

“…34,35 SCSC transformation has created new functional materials with photocatalytic performance and improved the performance of the original single crystal. 36 Herein, we report two new MOFs, purple needle shaped crystals of SNUT-25 with the formula [Co 2 (μ 2 -OH)(EIBA) 3 ] n was solvothermally synthesized by 4-(2-ethyl-1H-imidazol-1-yl) benzoic acid (HEIBA). After turning the temperature and DMF, the 2D cobalt MOF of SNUT-25 can dissolve in DMF and recrystallize the 3D fourfold MOF [Co(EIBA) 2 ] n (SNUT-26) at 100 C by breaking the dimeric [Co 2 (μ 2 -OH)] units (Figure 1).…”