Generalized trends in the formation energies of several families of perovskite oxides (ABO3) and plausible explanations to their existence are provided in this study through a combination of DFT calculations, solid-state physics analyses and simple physical/chemical descriptors. The studied elements at the A site of perovskites comprise rare-earth, alkaline-earth and alkaline metals, whereas 3d...

Electrochemiluminescence (ECL) of a series of ruthenium(II) diimine complexes with appended crown ethers derived from 1,10-phenanthroline was studied via either the annihilation route or the coreactant schemes, and the ECL efficiency has been determined. The effect of an FSN surfactant on the ECL properties was also studied in buffer solutions. The effect of cation binding on the ECL behavior w...

Selective alkaline and earth metal ion encapsulation by two different Lehn-type cryptands, noted as [3.2.1] [4.1.1], was predicted between them compared on the DFT (B3LYP/LANL2DZp) basis set. Since these cryptands are isomers to well-known [2.2.2] cryptand, cation selectivity of all three cages were compared. The ability host adjust their structure successfully accommodate ions, based energy ge...

The synthesis and spectroscopic investigation of aza-crown ethers with anthraquinoneand 1-aminoanthraquinone-functionalized side chains are described. Cation-induced shifts in the UV/VIS absorption spectra of the ligands dissolved in propylene carbonate are observed only for Li+ among the alkali metal ions and for Mg2+ among the alkaline earth metal ions as well as for Ag+ and T1+. Only hypsoch...

Single crystals of α-Ba(2)P(2)O(7), dibarium diphosphate, were obtained under hydro-thermal conditions. The structure belongs to the diphosphate A(2)P(2)O(7) series with A being an alkaline earth cation. α-Ba(2)P(2)O(7) crystallizes isotypically with α-Sr(2)P(2)O(7). All atomic sites have site symmetry m with the exception of two O atoms which reside on general positions. Both Ba(2+) cations ar...