Three new metal-organic frameworks [MOF-525, Zr(6)O(4)(OH)(4)(TCPP-H(2))(3); MOF-535, Zr(6)O(4)(OH)(4)(XF)(3); MOF-545, Zr(6)O(8)(H(2)O)(8)(TCPP-H(2))(2), where porphyrin H(4)-TCPP-H(2) = (C(48)H(24)O(8)N(4)) and cruciform H(4)-XF = (C(42)O(8)H(22))] based on two new topologies, ftw and csq, have been synthesized and structurally characterized. MOF-525 and -535 are composed of Zr(6)O(4)(OH)(4) ...

During the past years, one of most iconic metal-organic frameworks (MOFs), MOF-5, has been characterized as a semiconductor by theory and experiments. Here we employ GW many-body perturbation in conjunction with Bethe-Salpeter equation to compute electronic structure optical properties this MOF. The calculations show that MOF-5 is wide-band-gap insulator fundamental gap ?8 eV. strong excitonic ...

Introduction A new class of materials called metal-organic frameworks (MOFs) introduced by Yaghi and coworkers has drawn the attention of many scientists [1] owing to their high porosity and their “cumulative” features originating from combining both inorganic and organic solids via assembly of metallic ions and organic ligands [1]. Their applications include gas separation/purification/storage...

A molecular proton reduction catalyst [FeFe](dcbdt)(CO)6 (1, dcbdt = 1,4-dicarboxylbenzene-2,3-dithiolate) with structural similarities to [FeFe]-hydrogenase active sites has been incorporated into a highly robust Zr(IV)-based metal-organic framework (MOF) by postsynthetic exchange (PSE). The PSE protocol is crucial as direct solvothermal synthesis fails to produce the functionalized MOF. The m...

Stimuli-responsive metal-organic frameworks (MOFs) have gained increasing attention recently for their potential applications in many areas. We report the design and synthesis of a water-stable zirconium MOF (Zr-MOF) that bears photoresponsive azobenzene groups. This particular MOF can be used as a reservoir for storage of cargo in water, and the cargo-loaded MOF can be further capped to constr...

In this study, MOF/BiFeO₃ composite (MOF, metal-organic framework) has been synthesized successfully through a one-pot hydrothermal method. The MOF/BiFeO₃ composite samples, pure MOF samples and BiFeO₃ samples were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS), and by UV-vis spectrophotometry. The results and analysis reveal t...

We report the successful heteroepitaxial growth of perfectly oriented hybrid MOF thin films. By employing step-by-step liquid-phase epitaxy (LPE), [Zn(2)(ndc)(2)(dabco)](n) was grown on [Cu(2)(ndc)(2)(dabco)](n), thus demonstrating that the MOF-on-MOF deposition scheme developed for powdered microcrystalline MOF materials can also be applied in connection with LPE for MOF thin films or multilay...

This study employs classical Density Functional Theory (cDFT) to investigate the adsorption isotherms and structural information of H2 CH4 fluids inside MOF-5. The results indicate that both is highly dependent on fluid temperature shape MOF-5 structure. Specifically, molecules exhibit stronger interactions with framework, resulting in a greater adsorbed quantity compared H2. Additionally, cDFT...

A uniform and crack-free metal−organic framework (MOF) thin film composed of free-standing acicular nanorods was grown on a transparent conducting glass substrate. The MOF thin film exhibits electrochromic switching between yellow and deep blue by means of a one-electron redox reaction at its pyrene-based linkers. The rigid MOF stabilizes the radical cations of the pyrene linkers at positive ap...