Ionic liquids – ionic crystals liquid crystals? Structural order in imidazolium-based ILs, a series of asymmetrical 1-dodecyl-2-methyl-3-alkylimidazolium bromides, [C12C1Cnim][Br] with n = 0–12.

In the crystal structure of the title salt, 3C(5)H(6)NO(+)·HSO(4) (-)·SO(4) (2-)·H(2)O, the hydrogen sulfate ion is linked to the sulfate ion by an O-H⋯O hydrogen bond. The hydrogen sulfate-sulfate anion is a hydrogen-bond acceptor for the three independent cations and the uncoordinated water mol-ecule, the hydrogen-bonding inter-actions giving rise to a three-dimensional hydrogen-bonded networ...

the effect of four inhibitors on calmalulin (cum) were studied by a ftuorescence and ultraviolet techniques. four compounds in - ( 6 - aminohexyt) 5-chloro - i - napthalenesulphonamide] (w-7), 1 - [ bis - (4 - chtorophenyt) methyl] - 3 - [2, 4-dichloro - β - ( 2 , 4 - dichlorobenzyloxyl) phenethyt] imidazolium chloride (r24571), trifluoperazine (tfp) , thiodiphenylamide chloride (tdpac) showed ...

In the title compound, C(17)H(17)N(2)O(+)·BF(4) (-), the central imidazolium ring makes dihedral angles of 74.58 (9) and 40.10 (6)° with the phenyl and 2-methoxy-phenyl rings, respectively. In the crystal, a strong π-π inter-action is observed between the imidazolium and 2-methoxy-phenyl rings, with a centroid-centroid distance of 3.5115 (15) Å. In addition, C-H⋯F and C-H⋯O hydrogen bonds and C...

A ditopic tetrapodal imidazolium-based 1,3-alternate calix[4]arene host binds anions as 1 : 2 complexes via a range of CH...anion hydrogen bonds. Allosteric enhancement of the affinity for the second chloride anion is observed. X-Ray crystal structures of the chloride, bromide and nitrate complexes suggest that this behaviour is linked to inter-binding site communication mediated by the calixar...

The organic-inorganic hybrid, {(C(6)H(13)N(3))(2)[Pb(3)I(10)]}(n), was obtained by the reaction of 1-(3-ammonio-prop-yl)imidazolium triiodide and PbI(2) at room temperature. The structure contains one-dimensional {[Pb(3)I(10)](4-)}(n) polymeric anions spreading parallel to [001], resulting from face-face-edge association of PbI(6) distorted octa-hedra. One of the Pb(II) cations is imposed at an...

An electronically polarizable model, based on the AMBER nonpolarizable model, has been developed for the ionic liquid (IL) 1-ethyl-3-methyl-imidazolium nitrate (EMIM(+)/NO(3)(-)). Molecular dynamics simulation studies were then performed with both the polarizable and nonpolarizable models. These studies suggest EMIM(+) cations have a strong tendency to pack with their neighboring imidazolium ri...

To determine the essential parameters for mesophase formation in imidazolium-based ionic liquids (ILs), a library of 1-alkyl-3-dodecylimidazolium bromides was synthesized, abbreviated as CnC12, where 0 ≤ n ≤ 13, as the general notion is that a dodecyl side chain would guarantee the formation of an ionic liquid crystal (ILC). All salts were fully characterized by NMR spectroscopy and mass spectr...

Based on experimental viscosity data collected from the literature and using density data obtained from a predictive method previously roposed by the authors, a group contribution method is proposed to estimate viscosity of imidazolium-, pyridinium-, and pyrrolidiniumased ILs containing hexafluorophosphate (PF6), tetrafluoroborate (BF4), bis(trifluoromethanesulfonyl) amide (Tf2N), chloride (Cl)...