Effect of alkyl chain length in protic ionic liquids: an AIMD perspective
In this study we have explored, by means of ab initio molecular dynamics, a subset of three different
protic ionic liquids (ILs). We present both structural and dynamical information of the liquid state of
these compounds as revealed by accurate ab initio computations of the interactions. Our analysis
figures out the presence of a strong hydrogen bond network in the bulk state, that is more stable in
those ILs characterised by a longer alkyl side chain. Indeed it becomes more long-lasting passing from