calixarenes are a readily available and important class of macrocycles in supramolecularchemistry. calixarenes have generated considerable interest due to their basket shaped structureand as useful building blocks to synthesize selective receptors for the guest species, notably alkali,alkaline earth, lanthanide and transition metal cations. in this work studied on the complexingproperties of a ...

A triphenylphosphine oxide (TPPO) compound bearing 3,4,5-tridodecyloxybenzyloxy moieties exhibits a columnar liquid crystalline phase, and by changing its self-assembled structure, is responsive to alkaline metal cations due to cation-phosphine oxide interactions.

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...

A range of complexes based on the high-nuclearity [W36] isopolyoxotungstate cluster, [H12W36O120]12-, with a triangular topology has been isolated by using the organic cation, protonated triethanolamine. In analogy to an 18-crown-6 crown ether with six oxygen donors on a ring, the cluster can form alkali and alkaline earth metal complexes [M within W36] (M = K+, Rb+, Cs+, NH4+, Sr2+ and Ba2+, 1...

The observed rates of ribozyme cleavage reactions are strongly dependent on the nature of the metal ion present. Metal ions can thereby exhibit a stronger inhibiting or accelerating effect compared to Mg(2+), which is usually considered the natural cofactor. Alkaline, alkaline earth, transition, d(10), and other metal ions are applied either to gain a spectroscopic handle on the metal center, a...

Calixarenes are a readily available and important class of macrocycles in supramolecularchemistry. Calixarenes have generated considerable interest due to their basket shaped structureand as useful building blocks to synthesize selective receptors for the guest species, notably alkali,alkaline earth, lanthanide and transition metal cations. In this work studied on the complexingproperties of a ...

Theoretical reasons for metallic behavior among diverse Zintl phases have generally not been pursued at an advanced level. Here, the electronic structure of Ca5Ge3 (Cr5B3 type), which can be formulated (Ca+2)5(Ge2-6)Ge-4 in oxidation states, has been explored comparatively by means of semiempirical and first-principles density functional methods. The FP-APW calculations show that alkaline-earth...

The fresnoite-type compound Sr2TiO(Si2O7), distrontium oxidotitanium disilicate, has been prepared by high-temperature solid-state synthesis. The results of a Rietveld refinement study, based on high-resolution synchrotron X-ray powder diffraction data, show that the title compound crystallizes in the space group P4bm and adopts the structure of other fresnoite-type mineral samples with general...

The influence of the nature of the cation on the interaction of the silicoaluminophosphate SAPO-34 with small hydrocarbons (ethane, ethylene, acetylene, propane, propylene) is investigated using periodic density-functional theory calculations including a semi-empirical dispersion correction (DFT-D). Initial calculations are used to evaluate which of the guest-accessible cation sites in the chab...