Metal–organic cages are processable porous molecules that can be assembled into a range of macroscopic porous materials.

Water and ethanol stabilities of the crystal structure of the Cu-based metal–organic framework (MOF) HKUST-1 have been investigated. Vapour (water and ethanol) sorption isotherms and cyclability were measured by a dynamic strategy. The ethanol sorption capacity of HKUST-1 at 303 K remained unchanged contrasting water sorption (which decreased along with the sorption experiment time). Considering the binding energy of each sorbate with the open Cu(II) sites, obtained by the use of diffusion coefficients, we showed the superior crystal stability of the HKUST-1 framework towards ethanol. Finally, a small quantity of ethanol (pre-adsorbed) slightly enhanced CO₂ capture without crystal structure degradation.

Mg-CUK-1 exhibited high chemical stability towards H₂S and H₂O. Monte Carlo Simulations correlated with H₂S uptake.

MFM-300(Sc) was demonstrated to be an optimal adsorbent for SO ₂ capture combining high uptake, good stability and excellent cyclability (facile regeneration at only room temperature). A drastic enhancement on its SO ₂ uptake (40%) was achieved when a small amount of EtOH was preliminary adsorbed.

Synthesis of a new HKUST-1 composite based on single-walled carbon nanotubes (SWCNTs) was successfully achieved (SWCNT@HKUST-1). SWCNTs were used as templates to grow rod-like HKUST-1 crystals over the surface of the nanotubes. N₂ adsorption properties showed an increment on the surface area and pore volume for the SWCNT@HKUST-1 composite. Furthermore, the CO₂ capture increased, from 7.92 to 8.75 mmol g^–1 at 196 K up to 100 kPa, for the SWCNT@HKUST-1 composite. This enhancement was directly associated with the increase of the surface area of the composite. Additionally, an increase in the CO₂ heat of adsorption was estimated, from 30 to 39.1 kJ mol^–1 for the SWCNT@HKUST-1 composite. In situ Raman experiments corroborated the favored CO₂ adsorption for the composite and provided an insight into the augmented hydrophobicity of the SWCNT@HKUST-1. Ethanol adsorption isotherms corroborated an increase in the hydrophobicity of the material upon the incorporation of carbon nanotubes.

A greener synthesis of Cu-MOF-74 was obtained, for the first time, in methanol as the unique solvent and at room temperature. Full characterisation of the MOF material showed its purity and also its nanocrystalline nature. Complete activation (150 °C for 1 h and 10⁻³ bar) of Cu-MOF-74 afforded unsaturated Cu metal sites and this was corroborated by in situ DRIFT spectroscopy. The access to these Cu open metal sites was tested for the catalytic transformation of trans-ferulic acid to vanillin (yield of 71% and 97% selectivity) and a plausible catalytic reaction mechanism was postulated based on quantum chemical calculations.