Metal–Organic Frameworks and Hybrid Materials: From Fundamentals to Applications
Welcome to this CrystEngComm themed issue on metal–organic frameworks and hybrid materials.
Simulation and modelling of MOFs for hydrogen storage
We review the current state of the art in molecular simulations and modelling of MOFs for hydrogen storage.
Crystal engineering, structure–function relationships, and the future of metal–organic frameworks
After twenty years of vigorous R&D, where are MOFs headed?
Water interactions in metal organic frameworks
Insight into the structural variation of metal organic framework materials upon hydration.
Metal–organic frameworks as hosts for nanoparticles
The fabrication of metal nanoparticles in porous host matrices, especially metal–organic frameworks, has become of great interest in the last years and will be comprehensively discussed in this article.
Structural features and applications of metal–organic frameworks containing thiazole- and thiazolidine-based spacers
This highlight describes the crystal structures and network topology of thiazole- and thiazolidine-containing MOFs and CPs along with their applications in the fields of CO2 adsorption, luminescence, magnetism and heterogeneous catalysis.
Enhanced CO2 capture capacities and efficiencies with N-doped nanoporous carbons synthesized from solvent-modulated, pyridinedicarboxylate-containing Zn-MOFs
A pyridinedicarboxylate-containing Zn-MOF structure was modulated using pyridine and 4,4′-bipyridine to generate highly porous N-doped carbon adsorbents for CO2 capture.
Mechanical properties of zeolitic metal–organic frameworks: mechanically flexible topologies and stabilization against structural collapse
We report the low elastic modulus of a zeolitic MOF, along with stabilization against structural collapse by filling with solvent.
Fabrication and non-covalent modification of highly oriented thin films of a zeolite-like metal–organic framework (ZMOF) with rho topology
The fabrication and non-covalent modification of highly oriented thin films of zeolite like-metal–organic framework (ZMOF) with rho topology are reported.
Structural trends in hybrid perovskites [Me2NH2]M[HCOO]3 (M = Mn, Fe, Co, Ni, Zn): computational assessment based on Bader charge analysis
Charge partition between the metal and the ligand governs the geometry evolution in hybrid perovskites.
Crystals for sustainability – structuring Al-based MOFs for the allocation of heat and cold
The special water adsorption behaviour of CAU-10-H makes it ideal for application in adsorption driven heat pumps and chillers.
Experimental evidence of negative linear compressibility in the MIL-53 metal–organic framework family
The negative linear compressibility behaviour of the MIL-53 family of materials is experimentally demonstrated.
Enhanced gas-sorption properties of a high surface area, ultramicroporous magnesium formate
The gas-sorption properties of a high surface area α-magnesium formate with an expanded unit cell are reported. The material is stable in NH3 and shows very high CH4/N2 (5.2) selectivity.
Ab initio investigation of the affinity of novel bipyrazolate-based MOFs towards H2 and CO2
Two recently synthesized bipyrazole-based metal organic frameworks were characterized and their different affinity toward small molecules was interpreted using ab initio simulations.
Structure-directing factors when introducing hydrogen bond functionality to metal–organic frameworks
Introduction of functional groups into an isoreticular series of MOFs may be complicated by noncovalent interactions between interpenetrated nets inducing differing topologies.
The Lewis acidic and basic character of the internal HKUST-1 surface determined by inverse gas chromatography
For the design of metal–organic frameworks with specific properties, a chromatographic method to quantitatively determine their Lewis acid base characteristics was demonstrated with HKUST-1.
Copolymerisation at work: the first example of a highly porous MOF comprising a triarylborane-based linker
A copolymerisation approach was successfully utilised to create the first highly accessible, non-interpenetrated MOF comprising a triarylborane carboxylate linker.
Fe/Ga-CFA-6 – metal organic frameworks featuring trivalent metal centers and the 4,4′-bipyrazolyl ligand
Two novel metal–organic frameworks Fe-/Ga-CFA-6 based on trivalent metal centers and 4,4′-bipyrazolate linkers are presented and characterized in this work.
Surfactant-directed syntheses of mesostructured zinc imidazolates: formation mechanism and structural insights
A detailed study on the formation mechanism, local and long-range structures of surfactant-directed lamellar zinc imidazolates is presented.
Flexibility transition and guest-driven reconstruction in a ferroelastic metal–organic framework
Copper(I) tricyanomethanide shows exceptional mechanical and coordination flexibility in response to temperature and guest sorption.
Reductive coordination replication of V2O5 sacrificial macrostructures into vanadium-based porous coordination polymers
The reductive coordination replication of V2O5 patterns provides the vanadium(III) species required to build the mesostructures of [V(OH)ndc]n.
Transition metal inclusion in RhoZMOF materials
Porous RhoZMOF is a negatively charged zeolite-like MOF material susceptible to post-synthesis modification by an ion-exchange process replacing as-synthesized organic cations with transition metals.
Vapochromic properties versus metal ion coordination of β-bispyrazolato–copper(II) coordination polymers: a first-principles investigation
Vapochromic properties of Cu(II) coordination polymers are explained on the basis of first principles calculations.
First examples of aliphatic zirconium MOFs and the influence of inorganic anions on their crystal structures
Three new Zr-MOFs based on aliphatic linker molecules and the role of the anions present during synthesis that affect their framework structures are reported.
Active site engineering in UiO-66 type metal–organic frameworks by intentional creation of defects: a theoretical rationalization
The catalytic activity of the Zr-benzenedicarboxylate (Zr-BDC) UiO-66 increases by using synthesis modulators as trifluoroacetate (TFA) or hydrochloric acid (HCl), which can be removed post-synthetically.
Enhanced CO2 adsorption capacity of amine-functionalized MIL-100(Cr) metal–organic frameworks
Functionalization of the MIL-100(Cr) metal–organic framework with alkylamines (ethylenediamine and N,N′-dimethylethylenediamine) improves carbon dioxide sorption properties, especially in the case of ethylenediamine.
Elastic properties and acoustic dissipation associated with a disorder–order ferroelectric transition in a metal–organic framework
Elastic properties and acoustic dissipation associated with the disorder–order ferroelectric transition in a single crystal metal–organic framework (MOF), [NH4][Zn(HCOO)3], have been investigated using resonant ultrasound spectroscopy (RUS) in the temperature range between 10 K and 300 K.
Isoreticular isomerism in 4,4-connected paddle-wheel metal–organic frameworks: structural prediction by the reverse topological approach
By screening the possible range of isoreticular isomers, the structure of copper paddle-wheel-based metal–organic frameworks with nbo-b topology can be predicted and the formation of different phases can be rationalized.
Location of CO2 during its uptake by the flexible porous metal–organic framework MIL-53(Fe): a high resolution powder X-ray diffraction study
The accurate location of CO2 guest molecules as a function of pressure has been determined in the prototypical flexible MOF MIL-53 (Fe).
Quantum mechanical predictions to elucidate the anisotropic elastic properties of zeolitic imidazolate frameworks: ZIF-4 vs. ZIF-zni
We use density functional theory to reveal the detailed elastic properties of two topical ZIF materials comprising the same chemical composition but different crystalline structures. ZIF-4 was found to exhibit a negative Poisson's ratio, representing the first ‘auxetic-ZIF’ to be identified.
Energetics, thermal isomerisation and photochemistry of the linkage-isomer system [Ni(Et4dien)(η2-O,ON)(η1-NO2)]
Isomerisation of an NO2 ligand coordinated to Ni in a molecular crystal is explored using a range of quantum chemical techniques.
Insights into the microscopic behaviour of nanoconfined water: host structure and thermal effects
The hydration of nanoporous materials is relevant to many fundamental and industrial applications.
A Zn azelate MOF: combining antibacterial effect
A novel biocompatible and bioactive zinc azelate metal–organic framework (BioMIL-5) was hydrothermally synthesized with interesting long-term antibacterial properties.
Fluorine magic: one new organofluorine linker leads to three new metal–organic frameworks
2-Fluoro-1,3,5-benzene-tricarboxylic acid (Fbtc) is used as new linker for metal–organic frameworks and leads to three MOFs UHM-31, -32 and -33.
About this collection
This issue highlights recent advances in the rapidly expanding field of Metal-Organic Frameworks (MOFs) and hybrid materials, featuring cutting-edge research at the interface of crystal engineering, materials science, physics, chemistry and biomedicine. It is guest edited by Professor Jin-Chong Tan (University of Oxford) and Dr Bartolomeo Civalleri (Universita' di Torino).