The elimination of a hydrogen bond in imidazolium based ionic liquids which results in an increased melting point is investigated by means of static quantum chemical and molecular dynamics simulations.

Ionic liquids with anions of strong hydrogen-bond basicity have been broadly reported in the literature as effective solvents for the dissolution of the components of lignocellulosic biomass. The key attributes of various ionic liquids are reviewed with a focus on their structural and functional properties related to biomass dissolution capacity. A number of the most studied ionic liquids with ...

The authors time resolve molecular motion in bound state, ionic potentials that leads to bond cleavage during the interaction with intense, ultrafast laser fields. Resonances in molecular ions play an important role in dissociative ionization with ultrafast laser fields, and the authors demonstrate how these resonances evolve in time to produce dissociation after initial strong-field ionization...

A salt-elimination reaction between the neodymium monoiodide [Nd(L')(N'')(I)](2) [L' = Bu(t)NCH(2)CH(2){C(NCSiMe(3)CHNBu(t))}; N'' = N(SiMe(3))(2)] and K[FeCp(CO)(2)] affords the first complex with an unsupported 4f-3d metal-metal bond that is sufficiently stable to be isolated; the bond is identified as principally ionic in nature by DFT calculations.

The relationship between melting temperature of multi-component chlorides and their ionic bond strength was studied. It can be used as a convenient method to know the when thermodynamic information is lacking for chlorides.

It is shown how previously reported bond energy equations (Van Hooydonk, 1973) can be re­ generated starting from the assumptions (i) that the valence-orbital energy of an element in a bond can be expressed as a function of its occupancy number (Iczkowski-Margrave, 1961) and (ii) that the potential around an atom in a bond vanishes as soon as its valence orbital is doubly occupied (Ferreira, 19...

A series of diethylmethyl(2-methoxyethyl)ammonium (DEME)-based ionic liquids were prepared using bis(perfluoroalkanesulfonyl)amide (C(n)F(2n+1)SO(2))(2)N anions with different perfluoroalkyl chain lengths (n = 0, 1, 2, 3, and 4), and the influence of the structural variation on their thermal, ion-diffusive (ionic conductivity and viscosity), ion-concentration (molar concentration and ion associ...

In complexes of the transition metals containing clusters of metal atoms the cobalt-cobalt bond lengths are almost always within 1 pm of the single-bond value 246 pm given by the enneacovalent radius of cobalt, whereas most of the observed iron-iron bond lengths are significantly larger than the single-bond value 248 pm, the mean being 264 pm, which corresponds to a half-bond. A simple discussi...