Structural Study and Antibacterial Activity of Cetylpyridinium Dodecyl Sulfate Ion Pair

A bactericidal and structural study on the cetylpyridinium dodecyl sulfate ion pair has been taken. The ion pair was a subject of numerous investigations, and its properties are widely discussed in different works. However, systematic studies on the specific interionic interactions in this ion pair are absent in the literature. To fill the gap in knowledge on the structure of cetylpyridinium dodecyl sulfate, we have synthesized this ion pair and characterized it with XRD, NMR, and DFT techniques. Moreover, antibacterial activity against various bacteria strains was analyzed.

Interplay of Jahn-Teller Ordering and Spin Crossover in Co(II) Compounds

The spin crossover phenomena in Co(II) compounds are in the focus of the present paper. A microscopic theoretical approach for the description of spin transitions in mononuclear Co(II) compounds is suggested. Within the framework of this approach there are taken into account two types of interionic interactions that may be operative in the problem such as the electron-deformational interaction and the cooperative Jahn-Teller interaction arising from the coupling of the low-spin state of the Co(II) ion with the tetragonal vibrations of the nearest surrounding. The different role of these interactions in the spin transformation is demonstrated and discussed. On the basis of developed approach a qualitative and quantitative explanation of the experimental data on the temperature dependence of the magnetic susceptibility for the [Co(pyterpy)2](PF6)2, [Co(pyterpy)2](TCNQ)2⋅DMF⋅MeOH and [Co(pyterpy)2](TCNQ)2⋅MeCN⋅MeOH compounds is given.

Argentophilic Interactions in Two AgI Complexes of 3-(2-(Pyridin-4-yl)ethyl)pentane-2,4-dione, a Promising Ditopic Ligand

Reactions of 3-(2-(pyridin-4-yl)ethyl)pentane-2,4-dione (HacacPyen) with AgPF6 and AgBF4 afforded cationic silver complexes [Ag(HacacPyen)2]+ with essentially linear coordination of the Ag I cation by two pyridine N atoms. Rather unexpectedly, the HacacPyen ligands in the PF6- salt 1 adopt the diketo form, in contrast to the uncoordinated HacacPyen molecule, whereas the corresponding BF4- salt 2 and the majority of 3-substituted acetylacetones crystallizes as the enol tautomer. In both compounds 1 and 2, complex cations aggregate via short Ag...Ag interactions to pairs. These contacts amount to 3 . 21 Å in 1 and 3 . 26 Å or 3 . 31 Å in 2. As they are unsupported by any additional bridging ligands and correspond to the closest interionic interactions between neighbouring complex cations, they may be addressed as argentophilic interactions. The PF6- anions in 1 and the BF4- counter ions in 2 are involved in long and presumably electrostatic Ag...F contacts of ca. 2 . 9 Å. Additional coordination between Ag I and keto O atoms of symmetry-equivalent ligands occurs in 1 and leads to an extended two-periodic supramolecular structure.

Fine probing the effect of replacing [PF6]− with [PF3(C2F5)3]− on the local structure and nanoscale organization of [bmim]+-based ionic liquids using MD simulation

Probing the effect of replacing [PF6]− with [PF3(C2F5)3]−, anion flexibility, and charge scaling on the local structure, nanoscale organization, and interionic interactions of [bmim]+-based ionic liquids.