Ionic Liquids: First Direct Determination of their Cohesive Energy

Ionic liquids: first direct determination of their cohesive energy.

Luı́s M. N. B. F. Santos,† José N. Canongia Lopes,*,‡,§ João A. P. Coutinho,¶ José M. S. S. Esperança,§ Lı́gia R. Gomes,# Isabel M. Marrucho,¶ and Luı́s P. N. Rebelo*,§ Centro de InVestigação em Quı́mica, Faculdade de Ciências, UniVersidade do Porto, R. Campo Alegre, 687, 4169 007 Porto, Portugal, Centro de Quı́mica Estrutural, Instituto Superior Técnico, 1049 001 Lisboa, Portugal, Instituto de Tecn...

Quantifying intermolecular interactions of ionic liquids using cohesive energy densities

For ionic liquids (ILs), both the large number of possible cation + anion combinations and their ionic nature provide a unique challenge for understanding intermolecular interactions. Cohesive energy density, ced, is used to quantify the strength of intermolecular interactions for molecular liquids, and is determined using the enthalpy of vaporization. A critical analysis of the experimental ch...

Energy applications of ionic liquids

Direct determination of ionic transference numbers in ionic liquids by electrophoretic NMR.

Charge transport in ionic liquids is a phenomenon of utmost interest for electrochemical (e.g. battery) applications, but also of high complexity, involving transport of ion pairs, charged clusters and single ions. Molecular understanding is limited due to unknown contributions of cations, anions and clusters to the conductivity. Here, we perform electrophoretic NMR to determine electrophoretic...

Correlation effects in ionic crystals: The cohesive energy of MgO.

High-level quantum-chemical calculations, using the coupled-cluster approach and extended one-particle basis sets, have been performed for (Mg)n(O )m clusters embedded in a Madelung potential. The results of these calculations are used for setting up an incremental expansion for the correlation energy of bulk MgO. This way, ∼ 96% of the experimental cohesive energy of the MgO crystal is recover...