Pyrrole-based π-conjugated anion-responsive molecules provided various planar anionic structures by complexation with halide anions, resulting in the formation of solid-state assemblies with planar counter cations and exhibiting various modes of charge-by-charge assembly depending on the substituents of the anion receptors.

The complexation of alkali metal ions with amphiphilic fullerene derivatives has been investigated by matrix-assisted laser desorption/ionization (MALDI) time-of-flight (TOF) mass spectrometry. The formation of analyte ions occurs via two competing mechanisms including electron transfer from matrix-derived ions and metal ion attachment. The interplay of these processes has been examined by lase...

the complex formation reaction between iodine with tetrabutylammonium halides (tbax) has been studied spectrophotometrically in chloroform solution at 25ºc. various aspects of the spectra of iodine in the presence of various concentration of different tetrabutylammonium halides have been discussed in terms of electronic specifications of iodine and halides. in the case of tetrabutylammonium iod...

Macrocycles up to 15 members with different heteroatoms (N, O, and S) and dendrimeric functionalized branches were assembled, resulting in unique "collective" supramolecular hosts with several active sites for transition metal ions complexation. The nature of the interactions between these kinds of systems and metal ions of the first transition series (Fe, Ni, Cu, Zn) was evaluated by calculati...

Various chemical models of ion adsorption are presented and discussed. Chemical models, such as surface complexation models, provide a molecular description of anion adsorption reactions using an equilibrium approach. Two such models, the constant capacitance model and the triple layer model, are described in the present study. Characteristics common to all the surface complexation models are e...

In the present work, the sensitivity to the moisture (hygroscopisity) is studied for 3,4-dinitropyrazole (DNP) as a famous energetic molecule. All of the DNP-H2O complex systems (1-3) as well as individual molecules were optimized and bond lengths, bond angles, dihedral angles, charge transfer and stability via NBO analysis, corrected interaction energies with ZPE + BSSE and hydrogen bonds anal...

[ru(terpy)(bpy)(l)]pf6 complexes, where terpy is 2,2΄:6′,2″– terpyridine, bpy is 2,2΄ - bipyridine and l is monoanions of  4 - bromophenylcyanamide (4 - brpcyd), 4-methoxyphenylcyanamide (4 - meopcyd), 2, 4 - dibromophenylcyanamide (2,4 - br2pcyd), 2,4-dimethylphenylcyanamide (2,4 - me2pcyd), 2 - methylphenylcyanamide  (2 - mepcyd), phenylcyanamide  (pcyd) and naphtylcyanamide  (ncyd)  have bee...

The complexation of alkali-metal cations with calix[4]arene tertiary amide derivative (L) was studied in N-methylformamide (NMF), N,N-dimethylformamide (DMF), and dimethyl sulfoxide (DMSO) by means of microcalorimetric and UV spectrophotometric titrations. The Gibbs energies, enthalpies, and entropies for transfer of reactants and products from N-methylformamide to other solvents were determine...