The effect of contact ion pairs and comparison the three halide ions on electrophilic C-H activation during base-free synthesis Ru(III)-NHC complexes [RuIII(PyNHCR)(Cl)3(H2O)] (1a; R = Me, 1b; iPr) have been investigated. DFT modelling two pathways for formation complexes, viz. coordination pathway ion-pair pathway, reveals generation carbene. path is preferred azolium salts with Cl− I−, wherea...

Alkyl-chain ferrocene cationic surfactants (ACFcCS) can form ion-pair complexes with anions, and are then adsorbed at hydrophobic electrode surfaces or extracted to organic layers. The amount of adsorbed ACFcCS-anion complex is dependent on the anion concentration in a solution, and the anion concentration can be determined from the current intensity of the oxidation wave of the ferrocene part ...

In the present work, we have studied ion-pair states of matrix-isolated I(2) with vacuum-UV absorption and UV-vis-NIR emission, where the matrix environment is systematically changed by mixing Kr with Xe, from pure Kr to a more polarizable Xe host. Particular emphasis is put on low doping levels of Xe that yield a binary complex I(2)-Xe, as verified by coherent anti-Stokes Raman scattering (CAR...

Ion-pairing is reported to improve the lipophilicity and subsequently the transport rate of polar drugs across lipid membranes. Lipophilisation of ionic drugs with high aqueous solubilities by ion-pair formation with appropriate counter-ion have proven to be promising for several applications. The aim of this review is to present the usefulness of ion-pair for improving the poor bioavailability...

In this article, theoretical studies on the selective complexation of the halide ions (F¯, Cl¯ and Br¯) and ion pairs (Na+F¯, Na+Cl¯ and Na+Br¯) with the cyclic nano-hexapeptide (CP) composed of L-proline have been performed in the gas phase. In order to calculate the dispersion interaction energies of the CP and ions, DFT-D3 calculations at the M05-2X-D3/6-31G(d) level was employed. Based on t...