Spielwiese

Conceptual DFT

Here, include something

$E_{(v,N)}[n]=F[n]+\int v(\overrightarrow{r})n(\overrightarrow{r}){\mathrm{d}}^{3}rv$

successful design elements

Usually, several strategies have to be combined to lower the melting point of a pure salt so it becomes an ionic liquid. It is also desirable to achieve high fluidities, since transport properties in general scale with the viscosity. Some of the common approaches are summarised below.

Conformational flexibility

NTf2 anion, entropy

Size of ions

mismatch, lower lattice enthalpies, but be careful - you dont want a wax

ether functionalisation

trivial

asymmetry

compare BMIM with C1C1Im, P2222 annd P1111 with P1115, as well as P1112O2 for low viscosity.

fluorination

compare OTf with OMs. problematic, because of environmental impact.

constitution of cation

ammonium vs phosphonium, imidazolium is useless.