Mechanical properties of hybrid inorganic-organic framework materials: establishing fundamental structure-property relationships

The mechanical properties of hybrid framework materials, including both nanoporous metal-organic frameworks (MOFs) and dense inorganic-organic frameworks, are discussed in this critical review. Although there are relatively few studies of this kind in the literature, major recent advances in this area are beginning to shed light on the fundamental structure-mechanical property relationships. Indeed research into the mechanical behavior of this important new class of solid-state materials is central to the design and optimal performance of a multitude of technological applications envisaged. In this review, we examine the elasticity of hybrid frameworks by considering their Young's modulus, Poisson's ratio, bulk modulus and shear modulus. This is followed by discussions of their hardness, plasticity, yield strength and fracture behavior. Our focus is on both experimental and computational approaches. Experimental work on single crystals and amorphized monoliths involved primarily the application of nanoindentation and atomic force microscopy to determine the elastic moduli and hardness properties. The compressibility and bulk moduli of single crystals and polycrystalline powders were studied by high-pressure X-ray crystallography in the diamond anvil cell, while in one instance spectroscopic ellipsometry has also been used to estimate the elastic moduli of MOF nanoparticles and deposited films. Theoretical studies, on the other hand, encompassed the application of first principles density-functional calculations and finite-temperature molecular dynamics simulations. Finally, by virtue of the diverse mechanical properties achievable in hybrid framework materials, we propose that a new domain be established in the materials selection map to define this emerging class of materials (137 references).     

Towards enhanced ligand-centred photoluminescence in inorganic-organic frameworks for solid state lighting

Three novel inorganic-organic framework compounds containing the organic chromophore ligand 9-fluorenone-2,7-dicarboxylic acid (abbreviated H(2)FDC) and barium (BaFDC), cadmium (CdFDC) and manganese (MnFDC), respectively, have been synthesized and evaluated for their use as phosphor materials for solid state lighting and other applications. The results are compared with two earlier reported structures containing the same ligand with calcium (CaFDC) and strontium (SrFDC). The barium- and cadmium-containing compounds both show blue excited, yellow photoluminescence, while the manganese structure does not. The trends in luminescent efficiency for the Ba, Cd, Ca, and Sr derivatives are discussed in relation to crystallographic, optical, and low-temperature specific heat considerations.     

Modelling the Chemistry of Zeolites by Computer Graphics

The unique structural, adsorptive, and catalytic properties of zeolites are particularly amenable to illustration by computer (especially color) graphics. The siting of cations, the accommodation of guest reactant or product species, as well as the occurrence of various kinds of intergrowths (e.g. twin planes and coincidence boundaries) within these microporous solids can all be effectively portrayed by graphical means in such a manner as to emphasize the shape-selective character of the host zeolite. The dynamics of translational and angular motion of guest species (for example benzene) in a channel of molecular dimensions within a typical zeolitic solid (for example silicalite) can also be probed interactively using appropriate potential functions.     

Some comments on “relation entre structure et conductivite ionique basse temperature Ag3PO4”

The structural and conductivity data on silver orthophospate described recently by Deschizeaux-chèuy et al. are considered in the context of earlier work on the same subject. The results of powder neutron (PND) and single crystal X-ray diffraction (SXD) analyses of Ag₃P0₄ provide a consistent picuture of how the I-Ag₃P0₄ structure evolves with temperature. A comparison of independent analyses of II-Na₃P0₄ by PND and SXD demonstrates that solution and refinement of the structures of even highly disordered superionic materials can, in certain cases, be accomplished using powder diffraction data.