The adsorption and desorption of N2O on main-group ion-exchanged ZSM-5 was studied using temperature-programmed desorption (TPD) and density functional theory (DFT) calculations. TPD experiments were carried out to determine the desorbed temperature Tmax corresponding to the maximum mass intensity of N2O desorption peak and adsorption capacity of N2O on metal-ion-exchanged ZSM-5s. The results i...

The interactions of phenazino-crown ether ligands with alkali, alkaline earth and selected toxic species were investigated using density functional theory modelling by employing B3PW91/6-311G ++ (d, p) level of theory. The complex stability was analysed in terms of binding energies, perturbation energies, position of highest molecular orbital and energy gap values. In general, the complexes for...

Extending to transition metals, the class of compounds known as inverse crown ethers, two mixed alkali metal-manganese(II) amide ring compounds with oxo cores have been synthesised and crystallographically characterised, together with an oxo-free alkyl-amido precursor.

The first π-coordination-catalyzed nucleophilic fluorination of unactivated aryl halides has been demonstrated. Chlorobenzene reacts with alkali metal fluorides (CsF, KF) in the presence of a Cp*Ru catalyst at 120-180 °C to give fluorobenzene.

A neutral heteroditopic pyridine N-oxide axle containing [2]rotaxane, synthesised via sodium cation templation, displays cooperative recognition of alkali metal cation-halide anion ion-pairs in an unprecedented axle component separated ion-pair binding fashion.

Intercalation of alkali metal cations, like Li+ or Na+, follows the same three-stage mechanism of the interfacial charge and mass transfer irrespective of the nature of the electrolyte, electrolyte composition or electrode material.